SCHEMBL9950972

SCHEMBL9950972

CCC(C(=O)O)(C(=O)O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
TRPM8 Q7Z2W7 4/20 0.44
TRPA1 O75762 2/20 0.44
KCNA5 P22460 1/20 0.42
TRPV1 Q8NER1 5/20 0.41
CYP19A1 P11511 2/20 0.39

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
SCHEMBL18280697 0.84 EPHX1 (0.44) EPHX1TRPM8TRPA1KCNA5TRPV1
Bicarbonate SCHEMBL29029158 0.83 EPHX1 (0.45) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL9951821 0.80 EPHX1 (0.49) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL1032282 0.80 EPHX1 (0.49) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL112084 0.79 EPHX1 (0.47) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL29018734 0.79 EPHX1 (0.47) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL5981079 0.78 TRPM8 (0.48) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL19809105 0.78 TRPM8 (0.44) EPHX1TRPM8TRPA1TRPV1CYP19A1
SCHEMBL15282238 0.77 EPHX1 (0.43) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL7214058 0.76 EPHX1 (0.45) EPHX1TRPM8TRPA1KCNA5TRPV1

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 1 patent. 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 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 EPHX1 871/4885TRPM8 412/4885TRPA1 418/4885

“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.