SCHEMBL14735441

SCHEMBL14735441

OCc1n[nH]c2ccc(OC(F)(F)F)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KIF11 P52732 1/20 0.40
GSK3B P49841 1/20 0.40
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RUNX1 Q01196 1/20 0.39
CCNT1 O60563 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37

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
SCHEMBL10271773 0.85 HTR1A (0.44) TRPA1SCN5ASCN9AKDM4ECRHBP
SCHEMBL27942416 0.83 PTGS2 (0.47) TRPA1SCN5ASCN9AKDM4ECRHBP
SCHEMBL14734878 0.81 KDM4E (0.50) KDM4EGSK3BKMT2A
SCHEMBL27942422 0.78 TRPA1 (0.44) TRPA1SCN5ASCN9AKDM4ECRHBP
SCHEMBL14737593 0.77 TRPA1 (0.46) TRPA1SCN5ASCN9AKDM4ECRHBP
SCHEMBL14970095 0.77 TRPA1 (0.46) TRPA1SCN5ASCN9AKDM4ECRHBP
SCHEMBL4791019 0.76 KDM4E (0.57) TRPA1KDM4ECRHBPCRHR2GSK3B
SCHEMBL30648568 0.76 KDM4E (0.57) TRPA1KDM4ECRHBPCRHR2GSK3B
SCHEMBL1573096 0.75 PRKAG1 (0.58) TRPA1SCN5ASCN9AKDM4ECRHBP
SCHEMBL10221559 0.75 TRPA1 (0.44) TRPA1SCN5ASCN9AKDM4ECRHBP

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-2565192-B9 ANTICANCER AGENT UNIV TOKYO (JP) 2015-11-25 EP disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 US disclosed
EP-2565192-B1 ANTICANCER AGENT UNIV TOKYO (JP) 2015-08-12 EP disclosed
CN-103391936-A Anticancer agent NAT UNIV CORP UNIV TOKYO 2013-11-13 CN disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 US disclosed
EP-2565192-A1 ANTICANCER AGENT The University of Tokyo (JP) 2013-03-06 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-20130102776-A1 ANTICANCER AGENT PIM1, PIM3, PIM2 TRPA1 4738/4885SCN5A 3967/4885SCN9A 3448/4885

“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.