SCHEMBL18003155

SCHEMBL18003155

CCOc1ccc(/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ PPARG P37231 1/20 0.38

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
SCHEMBL18002880 0.91 ALDH1A1 (0.46) TUBB1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL18002553 0.90 NFE2L2 (0.51) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL18002499 0.85 TUBB1 (0.44) TUBB1ALDH1A1CYP1A2KDM4ECYP1A1
SCHEMBL18002502 0.83 CCNB2 (0.45) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL18003166 0.83 NFE2L2 (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL27340001 0.82 CYP1A2 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL28960351 0.79 PTGS1 (0.37) ALDH1A1NFE2L2
SCHEMBL26426000 0.79 PTGS1 (0.37) ALDH1A1NFE2L2
SCHEMBL10616645 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL18163146 0.76 ESR1 (0.59) TUBB1MAPTLMNAL3MBTL1CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — 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 (2 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 TUBB1 2880/4885ALDH1A1 1611/4885CYP1A2 1825/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 TUBB1 2880/4885ALDH1A1 1611/4885CYP1A2 1825/4885

“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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