SCHEMBL4601829

SCHEMBL4601829

COc1cc(OC)cc(-c2cc(C(=O)O)c3ccccc3n2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.74
LMNA P02545 3/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
RAB9A P51151 3/20 0.74
MAPT P10636 3/20 0.74
NPC1 O15118 2/20 0.74
ALDH1A1 P00352 2/20 0.74
HPGD P15428 2/20 0.74
NFKB1 P19838 1/20 0.74
NFKB2 Q00653 1/20 0.74
RELA Q04206 1/20 0.74
ATM Q13315 1/20 0.74
NPSR1 Q6W5P4 1/20 0.74
PDE10A Q9Y233 2/20 0.68
DHODH Q02127 5/20 0.65
POLB P06746 3/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
CYP3A4 P08684 1/20 0.62
TP53 P04637 3/20 0.61

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
SCHEMBL116026 0.90 KDM4E (0.85) KDM4ELMNASMN1; SMN2RAB9AMAPT
SCHEMBL1897330 0.89 KDM4E (0.79) KDM4ELMNASMN1; SMN2RAB9AMAPT
SCHEMBL4601802 0.85 KDM4E (1.00) KDM4ELMNASMN1; SMN2RAB9AMAPT
SCHEMBL4602056 0.84 RAB9A (0.70) KDM4ELMNASMN1; SMN2RAB9AMAPT
SCHEMBL29674931 0.84 RAB9A (0.70) KDM4ELMNASMN1; SMN2RAB9AMAPT
SCHEMBL4189945 0.82 TACR3 (0.74) KDM4ELMNASMN1; SMN2RAB9AMAPT
SCHEMBL8615674 0.82 CYP3A4 (0.58) KDM4ELMNASMN1; SMN2RAB9AMAPT
Cinchophen SCHEMBL7588217 0.82 KDM4E (1.00) KDM4ELMNASMN1; SMN2RAB9ANPC1
Cinchophen SCHEMBL25519 0.82 KDM4E (1.00) KDM4ELMNASMN1; SMN2RAB9ANPC1
Cinchophen SCHEMBL29376617 0.82 KDM4E (1.00) KDM4ELMNASMN1; SMN2RAB9ANPC1

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 2399/4885LMNA 3198/4885SMN1; SMN2 3867/4885

“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.