SCHEMBL1636451

SCHEMBL1636451

COc1cc(OC)c(/C=C/C(=O)Nc2ccc(OC)c(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 9/20 0.49
MEN1 O00255 6/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPK1 P28482 3/20 0.49
LMNA P02545 4/20 0.49
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
ALOX5 P09917 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
POLB P06746 1/20 0.46
BLM P54132 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
SETD7 Q8WTS6 1/20 0.45
PTGS2 P35354 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL1635584 0.93 ALOX5 (0.55) KMT2ARAB9ANPC1TDP1MAPT
SCHEMBL1636571 0.86 KDM1A (0.49) KMT2ARAB9ANPC1MAPTMEN1
SCHEMBL1636228 0.86 MEN1 (0.51) KMT2ARAB9ANPC1TDP1MAPT
SCHEMBL1636226 0.86 MEN1 (0.51) KMT2ARAB9ANPC1TDP1MAPT
SCHEMBL4212646 0.85 KMT2A (0.57) KMT2ARAB9ANPC1TDP1MAPT
SCHEMBL4212650 0.85 KMT2A (0.57) KMT2ARAB9ANPC1TDP1MAPT
SCHEMBL1634600 0.84 MAPT (0.46) KMT2ARAB9ANPC1MAPTMEN1
SCHEMBL1634604 0.84 MAPT (0.46) KMT2ARAB9ANPC1MAPTMEN1
SCHEMBL4209785 0.81 MAPT (0.56) KMT2ARAB9ANPC1TDP1MAPT
SCHEMBL4209788 0.81 MAPT (0.56) KMT2ARAB9ANPC1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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
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 KMT2A 1779/4885RAB9A 2664/4885NPC1 841/4885

“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.