SCHEMBL17148114

SCHEMBL17148114

C/N=C/C=C\c1ccc(/C=C\C=N)c(C)c1C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL18646245 0.70 CDK4 (0.43) KDM4EALDH1A1
SCHEMBL15765152 0.70 CDK4 (0.43) KDM4EALDH1A1
SCHEMBL15088369 0.69 ALDH1A1 (0.46) KDM4EALDH1A1
SCHEMBL17191417 0.69 KDM4E (0.54) KDM4EALDH1A1
SCHEMBL15493837 0.68 — —
SCHEMBL15132861 0.68 TRPA1 (0.37) KDM4EALDH1A1
SCHEMBL18898023 0.67 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL9805298 0.67 ALDH1A1 (0.48) KDM4EALDH1A1
SCHEMBL16131275 0.67 ALDH1A1 (0.48) KDM4EALDH1A1
SCHEMBL19019141 0.66 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678302-B1 PROCESS TO OBTAIN A TRIFLUOROMETHYLATING COMPOSITION FUNDACIÓ INST CATALÀ D INVESTIGACIÓ QUÍMICA (ES) 2016-08-17 — — EP disclosed
US-20150284341-A1 FLUOROALKYL-SUBSTITUTED DERIVATIVES OF PYRIDINE, PYRIMIDINE, AND PYRAZINE CATYLIX INC (US) 2015-10-08 — — 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-20150284341-A1 FLUOROALKYL-SUBSTITUTED DERIVATIVES OF PYRIDINE, PYRIMIDINE, AND PYRAZINE PFAS, AFF2, AFF4 KDM4E 2862/4885ALDH1A1 923/4885

“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.

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