SCHEMBL4738832

SCHEMBL4738832

COc1ccc(-c2cc3c(c(C(=O)O)c2)OCCO3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
TP53 P04637 5/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
RXRA P19793 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 1/20 0.43
NR4A2 P43354 1/20 0.43
GPR35 Q9HC97 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42

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
SCHEMBL14161561 0.88 TP53 (0.45) SMN1; SMN2TP53LMNAALDH1A1NPC1
SCHEMBL4735473 0.86 DHODH (0.47) LMNAALDH1A1KDM4EHPGDNPC1
SCHEMBL4737031 0.85 SMN1; SMN2 (0.50) SMN1; SMN2TP53LMNAALDH1A1KDM4E
SCHEMBL4737367 0.84 ACMSD (0.47) SMN1; SMN2TP53LMNAALDH1A1KDM4E
SCHEMBL4734837 0.83 AKR1C2 (0.55) SMN1; SMN2TP53ALDH1A1KDM4EHPGD
SCHEMBL4785991 0.83 KDM4E (0.45) SMN1; SMN2TP53LMNAALDH1A1KDM4E
SCHEMBL4739429 0.83 SMN1; SMN2 (0.50) SMN1; SMN2TP53ALDH1A1KDM4EHPGD
SCHEMBL4735845 0.82 KDM4E (0.46) SMN1; SMN2TP53LMNAALDH1A1KDM4E
SCHEMBL4737512 0.82 TP53 (0.44) SMN1; SMN2TP53LMNAALDH1A1KDM4E
SCHEMBL4737365 0.81 LMNA (0.45) SMN1; SMN2TP53LMNAALDH1A1KDM4E

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 SMN1; SMN2 4132/4885TP53 4376/4885LMNA 2315/4885

“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.