SCHEMBL4735845

SCHEMBL4735845

CC(=O)c1ccc(-c2cc3c(c(C(=O)O)c2)OCCO3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
TP53 P04637 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 2/20 0.44
HSD17B1 P14061 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 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
SCHEMBL4735326 0.86 TSHR (0.49) KDM4ETP53SMN1; SMN2ALDH1A1HPGD
SCHEMBL4737031 0.86 SMN1; SMN2 (0.50) KDM4ETP53SMN1; SMN2ALDH1A1HPGD
SCHEMBL4737367 0.85 ACMSD (0.47) KDM4ETP53SMN1; SMN2ALDH1A1HPGD
SCHEMBL4737360 0.85 PLK1 (0.52) KDM4ETP53SMN1; SMN2ALDH1A1HPGD
SCHEMBL4737354 0.85 KDM4E (0.43) KDM4ETP53SMN1; SMN2ALDH1A1HPGD
SCHEMBL4785991 0.84 KDM4E (0.45) KDM4ETP53SMN1; SMN2ALDH1A1HPGD
SCHEMBL4737512 0.83 TP53 (0.44) KDM4ETP53SMN1; SMN2ALDH1A1HPGD
SCHEMBL4735047 0.83 NPSR1 (0.52) KDM4ETP53SMN1; SMN2ALDH1A1HPGD
SCHEMBL4738701 0.82 HPGD (0.51) KDM4ETP53SMN1; SMN2ALDH1A1HPGD
SCHEMBL4735090 0.82 XDH (0.43) KDM4ESMN1; SMN2MAPTHSD17B1AKR1C3

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 KDM4E 2247/4885TP53 4376/4885SMN1; SMN2 4132/4885

“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.