SCHEMBL1367463

SCHEMBL1367463

O=C(c1cc2cc(OC(F)(F)F)ccc2[nH]c1=O)c1cc2cc(OC(F)(F)F)ccc2[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
GAA P10253 2/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 3/20 0.49
IDO1 P14902 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
PIM1 P11309 1/20 0.42
PADI4 Q9UM07 1/20 0.41
LGALS8 O00214 1/20 0.40
LGALS3 P17931 1/20 0.40
FLT3 P36888 1/20 0.40
RUNX1 Q01196 1/20 0.40
TRPA1 O75762 1/20 0.39

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
SCHEMBL22185223 0.79 KDM4E (0.55) KDM4EGAAKMT2AALDH1A1POLB
SCHEMBL31339909 0.79 KDM4E (0.53) KDM4EGAAKMT2AALDH1A1POLB
SCHEMBL3711402 0.79 KDM4E (0.55) KDM4EGAAKMT2AALDH1A1POLB
SCHEMBL31423094 0.78 KDM4E (0.45) KDM4EGAAKMT2AALDH1A1POLB
SCHEMBL830358 0.77 KDM4E (0.50) KDM4EGAAKMT2AALDH1A1POLB
SCHEMBL22185381 0.77 KDM4E (0.53) KDM4EGAAKMT2AALDH1A1POLB
SCHEMBL30548989 0.77 KDM4E (0.45) KDM4EGAAKMT2AALDH1A1POLB
SCHEMBL2931171 0.77 KDM4E (0.71) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL22185664 0.76 KDM4E (0.49) KDM4EGAAKMT2AALDH1A1POLB
SCHEMBL3718863 0.76 KDM4E (0.55) KDM4EGAAKMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 US claimed
US-8067461-B2 3-acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-11-29 US disclosed
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 US 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-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof NQO2, NQO1, HCCS KDM4E 2293/4885GAA 1518/4885KMT2A 1726/4885

“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.