SCHEMBL4735875

SCHEMBL4735875

O=C(O)c1cc(-c2cccc(-c3ccccc3)c2)cc2c1OCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 4/20 0.50
HNF4A P41235 2/20 0.45
DHFR P00374 1/20 0.45
MCL1 Q07820 1/20 0.45
KMO O15229 1/20 0.44
PTPN1 P18031 2/20 0.43
AKR1C2 P52895 3/20 0.42
AKR1C1 Q04828 3/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
KDM4C Q9H3R0 3/20 0.41
DHODH Q02127 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN6 P29350 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41

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 0.94 ACMSD (0.47) ACMSDHNF4ADHFRMCL1PTPN1
SCHEMBL14161491 0.89 IKBKB (0.48) ACMSDKMODHODHKDM4EALDH1A1
SCHEMBL4736975 0.89 DHODH (0.43) ACMSDHNF4ADHFRMCL1PTPN1
SCHEMBL4735827 0.87 MCL1 (0.54) ACMSDHNF4ADHFRMCL1KDM4C
SCHEMBL4736941 0.87 DCLRE1B (0.46) KMOAKR1C2AKR1C1KDM4ENPC1
SCHEMBL4735844 0.87 AKR1C2 (0.52) MCL1KMOAKR1C2AKR1C1KDM4C
SCHEMBL4737775 0.87 CTNNB1 (0.49) KMOAKR1C2AKR1C1KDM4CDHODH
SCHEMBL4740758 0.85 DHODH (0.46) KMODHODHSTIM1ORAI1
SCHEMBL4736167 0.85 ACMSD (0.56) ACMSDDHODH
SCHEMBL4737354 0.85 KDM4E (0.43) KMOAKR1C2AKR1C3KDM4ENPC1

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 ACMSD 2028/4885HNF4A 3752/4885DHFR 697/4885

“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.