SCHEMBL4601004

SCHEMBL4601004

COc1ccc2nc(-c3ccc(OC)c(F)c3)cc(C(=O)O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.67
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
HSD17B10 Q99714 2/20 0.66
PLA2G2A P14555 6/20 0.63
ALDH1A1 P00352 2/20 0.61
HPGD P15428 2/20 0.61
MAPT P10636 2/20 0.61
NPC1 O15118 1/20 0.61
LMNA P02545 1/20 0.61
NFKB1 P19838 1/20 0.61
RAB9A P51151 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
ATM Q13315 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
POLB P06746 2/20 0.56

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
SCHEMBL4602196 0.91 KDM4E (0.71) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL4601899 0.90 DHODH (0.61) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL4602311 0.88 KDM4E (0.62) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL4601628 0.87 KDM4E (0.56) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL4603041 0.87 EPRS1 (0.63) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL4616538 0.86 KDM4E (0.67) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL4601819 0.86 KDM4E (0.67) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL28576456 0.86 DHODH (0.69) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4480750 0.84 KDM4E (0.53) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL5156196 0.84 EIF4A1 (0.57) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10

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 2399/4885MEN1 410/4885KMT2A 916/4885

“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.