SCHEMBL4600962

SCHEMBL4600962

COc1cc(-c2nc(C(=O)O)cs2)cc(OC)c1OC

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
EGFR P00533 2/20 0.55
HDAC3 O15379 8/20 0.53
HDAC1 Q13547 8/20 0.53
HDAC7 Q8WUI4 8/20 0.53
HDAC8 Q9BY41 8/20 0.53
HDAC6 Q9UBN7 8/20 0.53
ECE1 P42892 2/20 0.50
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL27995668 0.91 EGFR (0.60) ALDH1A1EGFRHDAC3HDAC1HDAC7
SCHEMBL1683629 0.87 EGFR (0.69) ALDH1A1EGFRHDAC3HDAC1HDAC7
SCHEMBL9782130 0.84 ALDH1A1 (1.00) ALDH1A1EGFRECE1KDM4EGAA
SCHEMBL2764014 0.82 HPGD (0.63) ALDH1A1EGFRHDAC3HDAC1HDAC7
SCHEMBL1683637 0.82 HDAC3 (0.67) ALDH1A1EGFRHDAC3HDAC1HDAC7
SCHEMBL9823724 0.82 ALDH1A1 (0.63) ALDH1A1ECE1KDM4EHPGD
SCHEMBL20850974 0.81 HDAC3 (0.67) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL723752 0.81 HDAC3 (0.67) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL1683598 0.80 HDAC3 (0.69) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL1683710 0.79 HDAC3 (0.67) EGFRHDAC3HDAC1HDAC7HDAC8

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 9 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
EP-0262873-B1 N-TETRAZOLYL THIAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-21 EP disclosed
US-4879295-A ANTIALLERGENS SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-11-07 US disclosed
EP-0262873-A1 N-tetrazolyl thiazolecarboxamide derivatives and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1988-04-06 EP 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 ALDH1A1 3830/4885EGFR 4200/4885HDAC3 736/4885

“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.