SCHEMBL17172159

SCHEMBL17172159

CCC(C)(C)C(O)(c1cncnc1)c1ccc(-c2ccc(OC(F)(F)F)cc2F)cn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ CYP3A4 P08684 3/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ ABL1 P00519 7/20 0.36
▸ GRM2 Q14416 2/20 0.36
▸ CYP1A2 P05177 2/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ FFAR4 Q5NUL3 2/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ CCR6 P51684 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL17157467 0.90 ALOX5AP (0.45) ALOX5APFEN1CYP3A4CYP2C9CYP2C19
SCHEMBL17157304 0.88 CYP3A4 (0.43) CYP3A4CYP2C9CYP2C19ABL1CCR6
SCHEMBL17157395 0.87 ALOX5AP (0.44) ALOX5APFEN1CYP3A4CYP2C9CYP2C19
SCHEMBL17157518 0.86 ALOX5AP (0.47) ALOX5APFEN1CYP3A4CYP2C9CYP2C19
SCHEMBL17172333 0.83 ALOX5AP (0.43) ALOX5APFEN1CYP3A4CYP2C9CYP2C19
SCHEMBL17172375 0.83 ALOX5AP (0.43) ALOX5APFEN1CYP3A4CYP2C9CYP2C19
SCHEMBL17172305 0.82 ALOX5AP (0.42) ALOX5APFEN1CYP3A4CYP2C9CYP2C19
SCHEMBL17172323 0.82 ALOX5AP (0.45) ALOX5APFEN1CYP3A4CYP2C9CYP2C19
SCHEMBL17172331 0.82 ALOX5AP (0.41) ALOX5APFEN1CYP3A4CYP2C9CYP2C19
SCHEMBL17157450 0.81 FEN1 (0.47) ALOX5APFEN1CYP3A4CYP2C9CYP2C19

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
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 — — US disclosed
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 — — 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-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM ALOX5AP 2442/4885FEN1 753/4885CYP3A4 89/4885

“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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