SCHEMBL19636145

SCHEMBL19636145

CC1CCC(C(C)C)C(N=O)C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.50
TRPA1 O75762 2/20 0.50
EPHX1 P07099 3/20 0.47
KCNA5 P22460 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TRPV1 Q8NER1 3/20 0.36
LMNA P02545 1/20 0.36
CYP19A1 P11511 2/20 0.35
NFE2L2 Q16236 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
SCHEMBL25921899 1.00 TRPM8 (0.50) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL2124381 0.79 TRPM8 (0.46) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL2628608 0.79 TRPM8 (0.46) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL28885658 0.75 TRPM8 (0.46) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL20566114 0.75 TRPM8 (0.46) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL19179016 0.75 TRPM8 (0.46) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL27768720 0.75 TRPM8 (0.46) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL27790159 0.75 EPHX1 (0.51) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL30604482 0.72 TRPM8 (0.62) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL608359 0.71 TRPM8 (0.56) TRPM8TRPA1EPHX1KCNA5ALDH1A1

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-3816269-A1 FRAGRANCE MATERIAL COMPOSITION CONTAINING ?-METHOXYISOBUTYRIC ACID ESTER COMPOUND, AND USE AS FRAGRANCE MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-05-05 EP disclosed
US-20170333887-A1 CATALYSTS FOR METATHESIS REACTIONS INCLUDING ENANTIOSELECTIVE OLEFIN METATHESIS, AND RELATED METHODS TRUSTEES OF BOSTON COLLEGE 2017-11-23 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-20170333887-A1 CATALYSTS FOR METATHESIS REACTIONS INCLUDING ENANTIOSELECTIVE OLEFIN METATHESIS, AND RELATED METHODS SQLE, ICMT, COASY TRPM8 1083/4885TRPA1 1693/4885EPHX1 574/4885

“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.