SCHEMBL1854624

SCHEMBL1854624

N#Cc1ccc(-c2cccc3c2oc2ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.56
TNKS O95271 1/20 0.51
PRKDC P78527 7/20 0.48
GGPS1 O95749 1/20 0.41
AR P10275 2/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
CYP19A1 P11511 1/20 0.38
ADORA2A P29274 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
ATM Q13315 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PIM1 P11309 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
GSK3B P49841 1/20 0.35

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
SCHEMBL23328760 0.92 ALOX5 (0.49) ALOX5TNKSPRKDCGGPS1AR
SCHEMBL25543175 0.92 ALOX5 (0.49) ALOX5TNKSPRKDCGGPS1AR
SCHEMBL13171115 0.91 ALOX5 (0.55) ALOX5TNKSPRKDCGGPS1AR
SCHEMBL25544170 0.91 ALOX5 (0.48) ALOX5TNKSPRKDCGGPS1AR
SCHEMBL23328767 0.91 ALOX5 (0.48) ALOX5TNKSPRKDCGGPS1AR
SCHEMBL25544085 0.91 ALOX5 (0.48) ALOX5TNKSPRKDCGGPS1AR
SCHEMBL21691488 0.91 ALOX5 (0.54) ALOX5TNKSPRKDCGGPS1AR
SCHEMBL16016622 0.90 ALOX5 (0.57) ALOX5TNKSPRKDCGGPS1AR
SCHEMBL25543156 0.89 ALOX5 (0.47) ALOX5TNKSPRKDCGGPS1AR
SCHEMBL16016593 0.89 ALOX5 (0.56) ALOX5TNKSPRKDCGGPS1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11643414-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-05-09 US disclosed
US-11643414-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-05-09 US disclosed
EP-3448866-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-06-17 EP disclosed
US-20190135814-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-05-09 US disclosed
WO-2017186760-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-02 WO disclosed
US-9512137-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-12-06 US disclosed
US-9512137-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-12-06 US disclosed
US-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-10-11 US disclosed
US-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-10-11 US disclosed
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US disclosed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 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 (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-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLC25A11, SLCO4C1 ALOX5 4545/4885TNKS 3480/4885PRKDC 4029/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 ALOX5 1837/4885TNKS 2594/4885PRKDC 1994/4885
US-11643414-B2 Materials for organic electroluminescent devices SLCO4C1, SLCO2A1, PIEZO1 ALOX5 1455/4885TNKS 3349/4885PRKDC 4763/4885
US-20190135814-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, SLCO2A1, PIEZO1 ALOX5 1763/4885TNKS 2868/4885PRKDC 4760/4885

“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.