SCHEMBL21151874

SCHEMBL21151874

CCCCCCCC(CCCC)OC(=O)c1cc(C)sc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
GLS2 Q9UI32 3/20 0.34
MAPK10 P53779 1/20 0.34
PNLIP P16233 3/20 0.34
ZDHHC7 Q9NXF8 1/20 0.33
ESR1 P03372 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
FAAH O00519 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33

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
SCHEMBL21151713 0.88 PRKCA (0.41) PRKCAPRKCDALDH1A1PRSS1PRSS2
SCHEMBL21151934 0.76 ALDH1A1 (0.41) PRKCAPRKCDALDH1A1PRSS1PRSS2
SCHEMBL8220107 0.75 ALDH1A1 (0.65) PRKCAPRKCDALDH1A1PRSS1PRSS2
SCHEMBL4181207 0.75 ALDH1A1 (0.65) PRKCAPRKCDALDH1A1PRSS1PRSS2
SCHEMBL271925 0.75 ALDH1A1 (0.65) PRKCAPRKCDALDH1A1PRSS1PRSS2
SCHEMBL339893 0.75 ALDH1A1 (0.65) PRKCAPRKCDALDH1A1PRSS1PRSS2
SCHEMBL2696844 0.75 ALDH1A1 (0.65) PRKCAPRKCDALDH1A1PRSS1PRSS2
SCHEMBL4189559 0.75 ALDH1A1 (0.65) PRKCAPRKCDALDH1A1PRSS1PRSS2
SCHEMBL1191615 0.73 ALDH1A1 (0.67) PRKCAPRKCDALDH1A1PRSS1PRSS2
SCHEMBL781888 0.73 ALDH1A1 (0.67) PRKCAPRKCDALDH1A1PRSS1PRSS2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773074-B2 Method for aerobic oxidative coupling of thiophenes with a ligand-supported palladium catalyst WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-10-03 US disclosed
US-11773074-B2 Method for aerobic oxidative coupling of thiophenes with a ligand-supported palladium catalyst WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-10-03 US disclosed
US-20210047285-A1 Method for Aerobic Oxidative Coupling of Thiophenes with a Ligand-Supported Palladium Catalyst WISCONSIN ALUMNI RESEARCH FOUNDATION 2021-02-18 US disclosed
US-10858334-B2 Method for aerobic oxidative coupling of thiophenes with a ligand-supported palladium catalyst WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2020-12-08 US disclosed
US-20190210993-A1 Method for Aerobic Oxidative Coupling of Thiophenes with a Ligand-Supported Palladium Catalyst NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-07-11 US 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 (4 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-10858334-B2 Method for aerobic oxidative coupling of thiophenes with a ligand-supported palladium catalyst PPOX, TST, COX6C PRKCA 3769/4885PRKCD 4044/4885ALDH1A1 613/4885
US-11773074-B2 Method for aerobic oxidative coupling of thiophenes with a ligand-supported palladium catalyst PPOX, TST, COX6C PRKCA 3769/4885PRKCD 4044/4885ALDH1A1 613/4885
US-20190210993-A1 Method for Aerobic Oxidative Coupling of Thiophenes with a Ligand-Supported Palladium Catalyst PPOX, TST, COX6C PRKCA 3769/4885PRKCD 4044/4885ALDH1A1 613/4885
US-20210047285-A1 Method for Aerobic Oxidative Coupling of Thiophenes with a Ligand-Supported Palladium Catalyst PPOX, TST, COX6C PRKCA 3769/4885PRKCD 4044/4885ALDH1A1 613/4885

“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.