SCHEMBL2910558

SCHEMBL2910558

COC(=O)c1cc(O)c2cc(OC)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 8/20 0.54
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 2/20 0.50
BACE1 P56817 1/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 2/20 0.48
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
DHODH Q02127 1/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL562343 0.88 BACE1 (0.47) PLA2G2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL281969 0.88 KDM4E (0.56) PLA2G2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL2910836 0.87 PLA2G2A (0.42) PLA2G2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL2907173 0.86 DHODH (0.46) PLA2G2ABACE1DHODH
SCHEMBL2658663 0.86 CTSL (0.62) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL2903576 0.86 SMN1; SMN2 (0.52) PLA2G2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL16832843 0.85 PLA2G2A (0.69) PLA2G2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5717584 0.85 GRM2 (0.55) PLA2G2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL2905942 0.85 PDE2A (0.45) PLA2G2AKDM4EALDH1A1HPGDLMNA
SCHEMBL2935296 0.85 GABRP (0.48) KDM4EHSD17B10HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578423-B1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS BAYER SCHERING PHARMA AG (DE) 2010-08-18 EP disclosed
US-7176207-B2 Anticoagulants; antithrombotic agents in the treatment and prevention of thrombosis SCHERING AKTIENGESELLSCHAFT (DE) 2007-02-13 US disclosed
US-7084142-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-08-01 US disclosed
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-22 US disclosed
US-20060122188-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-08 US disclosed
US-7056923-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-06 US disclosed
US-7026323-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-04-11 US disclosed
US-6995156-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-02-07 US disclosed
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-24 US disclosed
US-6861424-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-01 US disclosed
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-17 US disclosed
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 US disclosed
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-27 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 (6 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-20060122188-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, P2RY1, ADORA1 PLA2G2A 147/4885KDM4E 4082/4885ALDH1A1 1457/4885
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R PLA2G2A 129/4885KDM4E 4333/4885ALDH1A1 745/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R PLA2G2A 129/4885KDM4E 4333/4885ALDH1A1 745/4885
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, ADORA1, P2RY1 PLA2G2A 255/4885KDM4E 4372/4885ALDH1A1 817/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B PLA2G2A 208/4885KDM4E 4378/4885ALDH1A1 585/4885
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, ADORA2B, TBXA2R PLA2G2A 117/4885KDM4E 4296/4885ALDH1A1 705/4885

“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.