SCHEMBL4738182

SCHEMBL4738182

Cc1cc(C)cc(-c2cc3c(c(C(=O)O)c2)OCCO3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 2/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
PLK1 P53350 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 3/20 0.36
TPMT P51580 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
FTO Q9C0B1 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4737031 0.88 SMN1; SMN2 (0.50) ALDH1A1KDM4ESMN1; SMN2TP53HPGD
SCHEMBL4735844 0.87 AKR1C2 (0.52) ALDH1A1KDM4ESMN1; SMN2TP53HPGD
SCHEMBL13315475 0.87 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2TP53HPGD
SCHEMBL14161600 0.86 PARP1 (0.41) ALDH1A1KDM4ESMN1; SMN2TP53HPGD
SCHEMBL4737367 0.81 ACMSD (0.47) ALDH1A1KDM4ESMN1; SMN2TP53HPGD
SCHEMBL4735849 0.81 KDM4E (0.40) ALDH1A1KDM4ESMN1; SMN2TP53HPGD
SCHEMBL5498301 0.81 SMN1; SMN2 (0.50) ALDH1A1KDM4ESMN1; SMN2TP53HPGD
SCHEMBL4737766 0.80 KDM4E (0.40) ALDH1A1KDM4ESMN1; SMN2TP53HPGD
SCHEMBL4735627 0.80 PARP1 (0.44) ALDH1A1KDM4ESMN1; SMN2TP53HPGD
SCHEMBL4785991 0.80 KDM4E (0.45) ALDH1A1KDM4ESMN1; SMN2TP53HPGD

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 ALDH1A1 3513/4885KDM4E 2247/4885SMN1; 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.