SCHEMBL2187295

SCHEMBL2187295

OCn1ccc(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
RAB9A P51151 4/20 0.45
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 3/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
NOTUM Q6P988 1/20 0.42
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FYN P06241 2/20 0.39
KCNJ6 P48051 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
SCN4A P35499 1/20 0.37

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
SCHEMBL9384038 0.85 KMT2A (0.55) KMT2ARAB9AKDM4ENPC1ALDH1A1
SCHEMBL10277534 0.82 KMT2A (0.52) KMT2ARAB9AKDM4ENPC1ALDH1A1
SCHEMBL11123118 0.80 KMT2A (0.59) KMT2ARAB9AKDM4ENPC1ALDH1A1
SCHEMBL17206355 0.80 KMT2A (0.53) KMT2ARAB9AKDM4ENPC1ALDH1A1
SCHEMBL13792157 0.80 KMT2A (0.53) KMT2ARAB9AKDM4ENPC1ALDH1A1
SCHEMBL5206196 0.79 KMT2A (0.48) KMT2ARAB9AKDM4ENPC1ALDH1A1
SCHEMBL7494123 0.78 RAB9A (0.68) KMT2ARAB9AKDM4ENPC1ALDH1A1
Hydrochloric Acid SCHEMBL2188431 0.78 KMT2A (0.52) KMT2ARAB9AKDM4ENPC1ALDH1A1
Methane SCHEMBL11623540 0.78 KMT2A (0.47) KMT2ARAB9AKDM4ENPC1ALDH1A1
SCHEMBL15338801 0.77 KMT2A (0.60) KMT2ARAB9AKDM4ENPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993775-B2 Chromium and nickel catalysts for oligomerization reactions and process for obtaining alpha-olefins using said catalysts Petroleo Brasileiro S.A.—Petrobras (BR) 2015-03-31 US disclosed
US-20120178939-A1 Chromium and nickel catalysts for oligomerization recations and process for obtaining alpha-olefins using said catalysts UNIVERSIDADE FEDERAL DO RIO GRANDE DO SUL - UFRGS (BR) 2012-07-12 US disclosed
CN-101538243-B Malononitrile compounds and their use SUMITOMO CHEMICAL CO 2012-05-09 CN disclosed
CN-101544606-B Malononitrile compound and use thereof SUMITOMO CHEMICAL CO 2012-02-29 CN disclosed
EP-1710234-B1 MALONONITRILE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-07-13 EP disclosed
EP-1710234-B1 MALONONITRILE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-07-13 EP disclosed
CN-1910147-B Malononitrile compounds and their use SUMITOMO CHEMICAL CO 2011-04-20 CN disclosed
CN-101544606-A Malononitrile compound and use thereof SUMITOMO CHEMICAL CO 2009-09-30 CN disclosed
CN-101538243-A Malononitrile compound and use thereof SUMITOMO CHEMICAL CO 2009-09-23 CN disclosed
US-7541374-B2 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-02 US disclosed
US-7541374-B2 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-02 US disclosed
US-7541374-B2 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-02 US disclosed
US-20070117854-A1 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-24 US disclosed
US-20070117854-A1 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-24 US disclosed
US-20070117854-A1 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-24 US disclosed
CN-1910147-A Malononitrile compounds and their use SUMITOMO CHEMICAL CO (JP) 2007-02-07 CN disclosed
EP-1710234-A1 MALONONITRILE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2006-10-11 EP 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 (2 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-20120178939-A1 Chromium and nickel catalysts for oligomerization recations and process for obtaining alpha-olefins using said catalysts PCNA, ORC3, AOC3 KMT2A 4545/4885RAB9A 3628/4885KDM4E 4417/4885
US-20070117854-A1 Malononitrile compounds and use thereof ME1, DDT, CYP51A1 KMT2A 2412/4885RAB9A 1607/4885KDM4E 1179/4885

“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.