SCHEMBL17895393

SCHEMBL17895393

c1cc2cc(OC3CCOCC3)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 9/20 0.48
ROCK2 O75116 2/20 0.48
PRKCD Q05655 2/20 0.48
PRKACA P17612 1/20 0.48
PRKG1 Q13976 1/20 0.48
PKN1 Q16512 1/20 0.48
PKN2 Q16513 1/20 0.48
AAK1 Q2M2I8 1/20 0.48
CDC42BPA Q5VT25 1/20 0.48
Q6ZSR9 Q6ZSR9 1/20 0.48
BMP2K Q9NSY1 1/20 0.48
CDC42BPB Q9Y5S2 1/20 0.48
CHRNA7 P36544 2/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
CHRNA10 Q9GZZ6 1/20 0.47
CHRNA9 Q9UGM1 1/20 0.47
SLC6A2 P23975 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25214219 0.89 ROCK1 (0.54) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL30430145 0.89 ROCK1 (0.54) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL19510882 0.85 ROCK1 (0.53) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL4673559 0.84 ROCK1 (0.52) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL19023118 0.83 ROCK1 (0.68) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL9983404 0.80 MEN1 (0.50) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL4906119 0.77 PRKCZ (0.43) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL5409080 0.76 ROCK2 (0.57) ROCK1ROCK2PRKG1PKN2SLC6A2
SCHEMBL31094209 0.74 IKBKB (0.42) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL30461940 0.74 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3LTA4H

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3954685-B1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF US HEALTH (US) 2025-08-27 EP disclosed
US-12365653-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVIC (US) 2025-07-22 US disclosed
US-20240368087-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2024-11-07 US disclosed
US-11897845-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-02-13 US disclosed
US-20220220078-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2022-07-14 US disclosed
CN-107624112-B Small molecule inhibitors of lactate dehydrogenase and methods of use thereof 美国政府健康及人类服务部 2022-03-04 CN disclosed
EP-3954685-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF The United States Of America, As Represented By The Secretary, Department Of Health And Human Services (US) 2022-02-16 EP disclosed
EP-3954685-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF The United States Of America, As Represented By The Secretary, Department Of Health And Human Services (US) 2022-02-16 EP disclosed
US-11247971-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2022-02-15 US disclosed
US-20210323928-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-10-21 US disclosed
US-20210323928-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-10-21 US disclosed
EP-3240785-B1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF US HEALTH (US) 2021-07-07 EP disclosed
EP-3240785-B1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF US HEALTH (US) 2021-07-07 EP disclosed
US-10961200-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-03-30 US disclosed
US-10351532-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-07-16 US disclosed
US-10351532-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-07-16 US disclosed
US-20180273488-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF THE UAB RESEARCH FOUNDATION 2018-09-27 US disclosed
EP-3240785-A2 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2017-11-08 EP disclosed
WO-2016109559-A2 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-07-07 WO disclosed
WO-2016109559-A2 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-07-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11247971-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof LDHB, LDHA, PDHB ROCK1 2490/4885ROCK2 4172/4885PRKCD 3641/4885
US-10961200-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof LDHB, LDHA, PDHA1 ROCK1 2420/4885ROCK2 4250/4885PRKCD 3753/4885
US-20180273488-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF LDHB, LDHA, PDHB ROCK1 2893/4885ROCK2 4416/4885PRKCD 4070/4885
US-11897845-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof LDHB, LDHA, PDHA1 ROCK1 2420/4885ROCK2 4250/4885PRKCD 3753/4885
US-10351532-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof LDHB, LDHA, PDHB ROCK1 2490/4885ROCK2 4172/4885PRKCD 3641/4885
US-12365653-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof LDHB, LDHA, PDHA1 ROCK1 2420/4885ROCK2 4250/4885PRKCD 3753/4885
US-20210323928-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF LDHB, LDHA, PDHB ROCK1 2893/4885ROCK2 4416/4885PRKCD 4070/4885
US-20240368087-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF LDHB, LDHA, PDHA1 ROCK1 2420/4885ROCK2 4250/4885PRKCD 3753/4885
US-20220220078-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF LDHB, LDHA, PDHA1 ROCK1 2420/4885ROCK2 4250/4885PRKCD 3753/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.