SCHEMBL4602879

SCHEMBL4602879

COc1cc(-c2cc(C(=O)O)c3cc([N+](=O)[O-])ccc3n2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 3/20 0.58
EIF4A1 P60842 15/20 0.58
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL5156196 0.84 EIF4A1 (0.57) KDM4EALDH1A1EIF4A1MAPTSMN1; SMN2
SCHEMBL3936014 0.82 KDM4E (0.68) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL4602317 0.82 KDM4E (0.66) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL3935413 0.82 KDM4E (0.68) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL3937571 0.81 KDM4E (0.64) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL4600479 0.81 DHODH (0.64) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL4020590 0.81 KDM4E (0.64) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL1899228 0.81 EIF4A1 (0.73) KDM4EALDH1A1EIF4A1MAPTSMN1; SMN2
SCHEMBL4602056 0.80 RAB9A (0.70) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL29674931 0.80 RAB9A (0.70) KDM4EALDH1A1MAPTSMN1; SMN2HPGD

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 2399/4885ALDH1A1 3830/4885EIF4A1 3902/4885

“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.