SCHEMBL4737512

SCHEMBL4737512

O=C(O)c1cc(-c2ccc(Cl)cc2)cc2c1OCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FTO Q9C0B1 1/20 0.41
KMT2A Q03164 2/20 0.41
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39

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
SCHEMBL4737367 0.88 ACMSD (0.47) TP53NPC1RAB9AKDM4EALDH1A1
SCHEMBL14161554 0.87 MEN1 (0.49) TP53NPC1RAB9AKDM4EALDH1A1
SCHEMBL4785991 0.87 KDM4E (0.45) TP53NPC1RAB9AKDM4EALDH1A1
SCHEMBL4737031 0.85 SMN1; SMN2 (0.50) TP53NPC1RAB9AKDM4EALDH1A1
SCHEMBL4737918 0.85 RPA1 (0.45) TP53NPC1RAB9AKDM4EALDH1A1
SCHEMBL4736941 0.85 DCLRE1B (0.46) TP53NPC1RAB9AKDM4EALDH1A1
SCHEMBL4735326 0.83 TSHR (0.49) TP53NPC1RAB9AKDM4EALDH1A1
SCHEMBL4738334 0.83 PDCD1 (0.45) TP53NPC1RAB9AKDM4EALDH1A1
SCHEMBL4735845 0.83 KDM4E (0.46) TP53NPC1RAB9AKDM4EALDH1A1
SCHEMBL4738550 0.83 KDM4E (0.42) TP53NPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US claimed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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 (1 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 TP53 4376/4885NPC1 2801/4885RAB9A 2622/4885

“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.