SCHEMBL4737031

SCHEMBL4737031

Cc1ccc(-c2cc3c(c(C(=O)O)c2)OCCO3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
HPGD P15428 3/20 0.50
TP53 P04637 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MCL1 Q07820 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 2/20 0.49
AKR1C2 P52895 2/20 0.49
AKR1C1 Q04828 1/20 0.49
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4C Q9H3R0 2/20 0.42
KDM6B O15054 1/20 0.42
ADCY1 Q08828 1/20 0.42
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40

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 0.88 ACMSD (0.47) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL4738182 0.88 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL4785991 0.87 KDM4E (0.45) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL4735845 0.86 KDM4E (0.46) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL4737512 0.85 TP53 (0.44) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL4738832 0.85 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL4735085 0.85 AKR1C2 (0.52) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL4735844 0.85 AKR1C2 (0.52) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL4735326 0.83 TSHR (0.49) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL4738334 0.83 PDCD1 (0.45) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A

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 4132/4885ALDH1A1 3513/4885KDM4E 2247/4885

“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.