SCHEMBL4735892

SCHEMBL4735892

COc1ccc(-c2cc3c(c(C(=O)O)c2)OCCO3)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
ERN1 O75460 3/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PIK3CA P42336 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL4737996 0.85 MKNK1 (0.46) PRKAG1PRKAA1PRKAB1MKNK1MKNK2
SCHEMBL4738832 0.81 SMN1; SMN2 (0.48) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL4737031 0.77 SMN1; SMN2 (0.50) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL4737367 0.76 ACMSD (0.47) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL4737365 0.76 LMNA (0.45) ERN1KDM4EALDH1A1TP53HPGD
SCHEMBL4640431 0.76 KDM4E (0.56) ERN1KDM4EALDH1A1TP53HPGD
SCHEMBL4735473 0.76 DHODH (0.47) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL4785991 0.75 KDM4E (0.45) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL4735591 0.75 CYP11B2 (0.56) MKNK1MKNK2KDM4EALDH1A1TP53
SCHEMBL4735845 0.75 KDM4E (0.46) HSD17B1KDM4EALDH1A1TP53HPGD

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 PRKAG1 3653/4885PRKAA1 4307/4885PRKAB1 4343/4885

“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.