SCHEMBL21694945

SCHEMBL21694945

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPM1B O75688 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PPP1CC P36873 1/20 0.41
▸ CES2 O00748 1/20 0.38
▸ CYP2C19 P33261 1/20 0.35
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM3 P20309 1/20 0.34

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
SCHEMBL13846233 0.80 CES2 (0.41) CES2
SCHEMBL20995893 0.80 PPM1B (0.52) PPM1BPTPN1PPP1CCCYP2C19CHRNB2
SCHEMBL5362897 0.79 CES2 (0.44) PPM1BPTPN1PPP1CCCES2
SCHEMBL9551372 0.78 CHRM2 (0.43) CYP2C19CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL3281202 0.76 CHRM2 (0.40) CYP2C19CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL24483227 0.75 CYP2C19 (0.37) PPM1BPTPN1PPP1CCCYP2C19CHRNB2
SCHEMBL14087182 0.73 — —
SCHEMBL20405610 0.73 — —
SCHEMBL17892815 0.73 — —
SCHEMBL5521657 0.73 CHRM2 (0.43) PPM1BPTPN1PPP1CCCYP2C19CHRM2

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-10548867-B2 Soothing composition for animals, comprising at least one fatty acid and nepetalactone VIRBAC (FR) 2020-02-04 — — 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-10548867-B2 Soothing composition for animals, comprising at least one fatty acid and nepetalactone CAT, ELOVL1, ELOVL6 PPM1B 1866/4885PTPN1 1522/4885PPP1CC 3145/4885

“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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