SCHEMBL4735844

SCHEMBL4735844

Cc1cccc(-c2cc3c(c(C(=O)O)c2)OCCO3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.52
AKR1C1 Q04828 1/20 0.52
KDM4C Q9H3R0 2/20 0.45
DHODH Q02127 2/20 0.45
KDM6B O15054 1/20 0.45
TP53 P04637 4/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
MCL1 Q07820 1/20 0.41
THRB P10828 1/20 0.38

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
SCHEMBL4735875 0.87 ACMSD (0.50) AKR1C2AKR1C1KDM4CDHODHTP53
SCHEMBL4738182 0.87 ALDH1A1 (0.46) AKR1C2AKR1C1TP53KDM4ESMN1; SMN2
SCHEMBL4736975 0.85 DHODH (0.43) AKR1C2AKR1C1DHODHTP53KDM4E
SCHEMBL4737031 0.85 SMN1; SMN2 (0.50) AKR1C2AKR1C1KDM4CKDM6BTP53
SCHEMBL4737367 0.84 ACMSD (0.47) AKR1C2AKR1C1KDM4CTP53KDM4E
SCHEMBL4737354 0.84 KDM4E (0.43) AKR1C2TP53KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4736941 0.84 DCLRE1B (0.46) AKR1C2AKR1C1TP53KDM4ESMN1; SMN2
SCHEMBL4735827 0.84 MCL1 (0.54) KDM4CTP53KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4737775 0.84 CTNNB1 (0.49) AKR1C2AKR1C1KDM4CDHODHTP53
SCHEMBL4736969 0.83 TP53 (0.45) AKR1C2AKR1C1TP53KDM4ESMN1; SMN2

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 AKR1C2 610/4885AKR1C1 609/4885KDM4C 1595/4885

“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.