SCHEMBL693647

SCHEMBL693647

C=C(C)C1CCC(C)CC1CC(=O)NC

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.34
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TLR4 O00206 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
SCHEMBL9951261 0.81 EPHX1 (0.35) TRPM8EPHX1ALDH1A1
SCHEMBL9951259 0.81 EPHX1 (0.35) TRPM8EPHX1ALDH1A1
SCHEMBL10028634 0.81 MEN1 (0.41) TRPM8EPHX1ALDH1A1
SCHEMBL9950894 0.81 MEN1 (0.41) TRPM8EPHX1ALDH1A1
SCHEMBL10028632 0.81 TRPM8 (0.37) TRPM8EPHX1TLR4
SCHEMBL3793761 0.75 EPHX1 (0.47) TRPM8EPHX1
SCHEMBL4762960 0.73 ALOX15 (0.31) ALDH1A1
SCHEMBL21504620 0.73 ALOX15 (0.31) ALDH1A1
SCHEMBL26191630 0.73 ALOX15 (0.31) ALDH1A1
SCHEMBL21019790 0.72 ALDH1A1 (0.36) TRPM8EPHX1ALDH1A1TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165559-A1 Compounds Having a Physiological Effect V. MANE FILS (FR) 2012-06-28 US claimed
EP-2421820-A1 COMPOUNDS HAVING A PHYSIOLOGICAL EFFECT V. Mane Fils (FR) 2012-02-29 EP claimed
US-20120165559-A1 Compounds Having a Physiological Effect V. MANE FILS (FR) 2012-06-28 US disclosed
US-20120165559-A1 Compounds Having a Physiological Effect V. MANE FILS (FR) 2012-06-28 US disclosed
US-20120165559-A1 Compounds Having a Physiological Effect V. MANE FILS (FR) 2012-06-28 US disclosed
EP-2421820-A1 COMPOUNDS HAVING A PHYSIOLOGICAL EFFECT V. Mane Fils (FR) 2012-02-29 EP disclosed
WO-2010122239-A1 COMPOUNDS HAVING A PHYSIOLOGICAL EFFECT V. MANE FILS (FR) 2010-10-28 WO disclosed
WO-2010122239-A1 COMPOUNDS HAVING A PHYSIOLOGICAL EFFECT V. MANE FILS (FR) 2010-10-28 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-20120165559-A1 Compounds Having a Physiological Effect NPPA, CYP11B2, SHBG TRPM8 412/4885EPHX1 871/4885ALDH1A1 507/4885

“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.