SCHEMBL4600353

SCHEMBL4600353

COc1cccc(-c2cc(C(=O)O)c3cc(OC)ccc3n2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.71
PLA2G2A P14555 4/20 0.69
ALDH1A1 P00352 3/20 0.67
MAPT P10636 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
HPGD P15428 2/20 0.67
LMNA P02545 2/20 0.67
NPC1 O15118 1/20 0.67
NFKB1 P19838 1/20 0.67
RAB9A P51151 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
ATM Q13315 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
HSD17B10 Q99714 3/20 0.63
POLB P06746 2/20 0.63
DHODH Q02127 3/20 0.61
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
CYP2D6 P10635 1/20 0.57

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
SCHEMBL245078 0.92 PLA2G2A (0.81) KDM4EPLA2G2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4601385 0.91 KDM4E (0.67) KDM4EPLA2G2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1897330 0.90 KDM4E (0.79) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL4601656 0.88 PLA2G2A (0.64) KDM4EPLA2G2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7813091 0.86 MAPT (0.70) KDM4EPLA2G2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4248564 0.85 MEN1 (0.61) KDM4EPLA2G2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7823061 0.84 KDM4E (0.79) KDM4EPLA2G2AALDH1A1MAPTSMN1; SMN2
Benzaldehyde SCHEMBL22471923 0.84 PLA2G2A (0.69) KDM4EPLA2G2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4247018 0.84 MEN1 (0.62) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL4189945 0.83 TACR3 (0.74) KDM4EPLA2G2AALDH1A1MAPTSMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO claimed
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R KDM4E 2399/4885PLA2G2A 754/4885ALDH1A1 3830/4885

“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.