SCHEMBL1786086

SCHEMBL1786086

O=C1C(Cc2ccc(F)cc2)CCC12CC2

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.40
GAA P10253 1/20 0.36
ROCK2 O75116 1/20 0.36
CRBN Q96SW2 2/20 0.35
DDB1 Q16531 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL1785146 0.83 MAOB (0.42) CRBNDDB1ALDH1A1
SCHEMBL15641434 0.82 TRPA1 (0.35) TRPA1GAAROCK2
SCHEMBL9264434 0.71 TRPA1 (0.40) TRPA1GAAALDH1A1
SCHEMBL1822117 0.71 GLA (0.43) GAAALDH1A1
SCHEMBL9166295 0.70 PTGS2 (0.56)
SCHEMBL5517558 0.70 PTGS2 (0.52) ALDH1A1
SCHEMBL15641223 0.69 MAOB (0.40) CRBNALDH1A1
SCHEMBL11270285 0.69 GLA (0.60) GAACRBNDDB1ALDH1A1
SCHEMBL11794283 0.69 PTGS2 (0.51) ALDH1A1
SCHEMBL3051430 0.69 ALDH1A1 (0.44) GAAROCK2CRBNDDB1ALDH1A1

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-20110124877-A1 5-BENZYL-4-AZOLYLMETHYL-4-SPIRO[2.4]HEPTANOL DERIVATIVES, METHODS FOR PRODUCING THE SAME, AND AGRO-HORTICULTURAL AGENTS AND INDUSTRIAL MATERIAL PROTECTING AGENTS THEREOF KUREHA CORPORATION (JP) 2011-05-26 US disclosed
EP-2315752-A1 5-BENZYL-4-AZOLYLMETHYL-4-SPIRO[2.4]HEPTANOL DERIVATIVES, METHODS FOR PRODUCING THE SAME, AND AGRO-HORTICULTURAL AGENTS AND INDUSTRIAL MATERIAL PROTECTING AGENTS THEREOF Kureha Corporation (JP) 2011-05-04 EP disclosed
WO-2010023862-A1 5-BENZYL-4-AZOLYLMETHYL-4-SPIRO[2.4]HEPTANOL DERIVATIVES, METHODS FOR PRODUCING THE SAME, AND AGRO-HORTICULTURAL AGENTS AND INDUSTRIAL MATERIAL PROTECTING AGENTS THEREOF KUREHA CORPORATION (JP) 2010-03-04 WO 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-20110124877-A1 5-BENZYL-4-AZOLYLMETHYL-4-SPIRO[2.4]HEPTANOL DERIVATIVES, METHODS FOR PRODUCING THE SAME, AND AGRO-HORTICULTURAL AGENTS AND INDUSTRIAL MATERIAL PROTECTING AGENTS THEREOF CYP8B1, CBR3, CBR1 TRPA1 506/4885GAA 4632/4885ROCK2 2408/4885

“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.