SCHEMBL17816256

SCHEMBL17816256

COc1nnc(C(C)(C)C)cc1C(C)(F)F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.30
▸ RXRA P19793 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 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
SCHEMBL17808316 0.86 CA1 (0.36) SQORALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL16454221 0.79 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP2C19RXRAGRIN1
SCHEMBL22186142 0.77 SQOR (0.38) SQORALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL19192228 0.75 CYP2C19 (0.31) ALDH1A1CYP1A2CYP2C19
SCHEMBL17816254 0.75 — —
SCHEMBL17816234 0.73 GABRA2 (0.35) —
SCHEMBL15823124 0.73 ALDH1A1 (0.34) SQORALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL17808315 0.70 ALDH1A1 (0.32) SQORALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL16466586 0.70 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP2C19
SCHEMBL17816248 0.68 — —

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-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 — — US disclosed
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 — — US disclosed
US-20160159781-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 — — 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-20160159781-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 SQOR 44/4885ALDH1A1 300/4885CYP1A2 22/4885

“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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