SCHEMBL1636081

SCHEMBL1636081

COc1cc(OC)c(/C=C/[S+]([O-])Cc2ccc(OC)c(OP(=O)(OCc3ccccc3)OCc3ccccc3)c2)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 3/20 0.39
SMPD1 P17405 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
MMP1 P03956 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER2 P43116 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXRA P19793 1/20 0.35
MAOA P21397 2/20 0.35
PTPN1 P18031 1/20 0.35
MET P08581 1/20 0.35
NQO2 P16083 1/20 0.35
FECH P22830 1/20 0.35
CLK3 P49761 1/20 0.35
PLK1 P53350 1/20 0.35

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
SCHEMBL1636085 1.00 TAS2R14 (0.39) TAS2R14SMPD1HDAC1HDAC8HDAC6
SCHEMBL1635899 0.88 ABCG2 (0.39) TAS2R14HDAC1HDAC8HDAC6ABCG2
SCHEMBL1635901 0.88 ABCG2 (0.39) TAS2R14HDAC1HDAC8HDAC6ABCG2
SCHEMBL1634764 0.87 CYP1A1 (0.40) TAS2R14HDAC1HDAC8HDAC6ABCG2
SCHEMBL1634762 0.87 CYP1A1 (0.40) TAS2R14HDAC1HDAC8HDAC6ABCG2
SCHEMBL1635658 0.84 CYP1A1 (0.40) TAS2R14HDAC1HDAC8HDAC6ABCG2
SCHEMBL1635655 0.84 CYP1A1 (0.40) TAS2R14HDAC1HDAC8HDAC6ABCG2
SCHEMBL1636871 0.83 TAS2R14 (0.35) TAS2R14SMPD1HDAC1HDAC8HDAC6
SCHEMBL1634855 0.81 KMT2A (0.52) TAS2R14ABCG2METNQO2FECH
SCHEMBL1634857 0.81 KMT2A (0.52) TAS2R14ABCG2METNQO2FECH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740530-B1 SUBSTITUTED PHENOXY- AND PHENYLTHIO-DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2016-09-28 EP claimed
US-7932242-B2 Anticancer agents; radiation and chemical resistance TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-04-26 US claimed
US-20080058290-A1 Substituted Phenoxy-and Phenylthio-Derivatives for Treating Proliferative Disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-03-06 US claimed
EP-1740530-A4 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2008-02-27 EP claimed
JP-2007529530-A 2007-10-25 JP claimed
EP-1740530-A2 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2007-01-10 EP claimed
WO-2005089269-A2 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-09-29 WO claimed
EP-3138832-A1 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS Temple University - Of The Commonwealth System of Higher Education (US) 2017-03-08 EP disclosed
EP-1740530-B1 SUBSTITUTED PHENOXY- AND PHENYLTHIO-DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2016-09-28 EP disclosed
US-7932242-B2 Anticancer agents; radiation and chemical resistance TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-04-26 US disclosed
US-20080058290-A1 Substituted Phenoxy-and Phenylthio-Derivatives for Treating Proliferative Disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-03-06 US disclosed
EP-1740530-A4 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2008-02-27 EP disclosed
EP-1740530-A2 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2007-01-10 EP disclosed
WO-2005089269-A2 SUBSTITUTED PHENOXY- AND PHENYLTHIO- DERIVATIVES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-09-29 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-20080058290-A1 Substituted Phenoxy-and Phenylthio-Derivatives for Treating Proliferative Disorders PCNA, MKI67, TP53 TAS2R14 3675/4885SMPD1 2609/4885HDAC1 525/4885

“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.