SCHEMBL4734815

SCHEMBL4734815

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 1/20 0.47
KDM4C Q9H3R0 1/20 0.45
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 1/20 0.43
KDM1A O60341 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DHODH Q02127 1/20 0.40
LTB4R Q15722 4/20 0.39
LTB4R2 Q9NPC1 4/20 0.39
P2RY14 Q15391 2/20 0.39
ACLY P53396 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
SCHEMBL14161511 0.88 NPC1 (0.39) NPC1RAB9AKMT2AKDM4CRXRA
SCHEMBL4735085 0.86 AKR1C2 (0.52) NPC1RAB9AKMT2ARXRARXRB
SCHEMBL4737367 0.84 ACMSD (0.47) NPC1RAB9AKDM4CKDM4EALDH1A1
SCHEMBL4734837 0.83 AKR1C2 (0.55) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL4785991 0.83 KDM4E (0.45) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL4733773 0.83 MAPT (0.45) NPC1RAB9AKMT2ARXRARXRB
SCHEMBL4737512 0.82 TP53 (0.44) NPC1RAB9AKMT2ARXRARXRB
SCHEMBL4737031 0.82 SMN1; SMN2 (0.50) NPC1RAB9AKDM4CRXRARXRB
SCHEMBL4738529 0.82 ROCK2 (0.43) NPC1RAB9AKDM4CKDM4EALDH1A1
SCHEMBL4735845 0.80 KDM4E (0.46) NPC1RAB9AKMT2ARXRARXRB

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 NPC1 2801/4885RAB9A 2622/4885KMT2A 1405/4885

“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.