SCHEMBL21380098

SCHEMBL21380098

CCCC(O)C1CC(C)CCC1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.48
TRPA1 O75762 2/20 0.48
EPHX1 P07099 3/20 0.42
OPRM1 P35372 1/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.33
CYP19A1 P11511 2/20 0.33

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
SCHEMBL1862576 1.00 TRPM8 (0.48) TRPM8TRPA1EPHX1OPRM1ALDH1A1
SCHEMBL31152467 0.86 TRPM8 (0.48) TRPM8TRPA1EPHX1OPRM1ALDH1A1
SCHEMBL31148535 0.85 TRPM8 (0.52) TRPM8TRPA1EPHX1OPRM1ALDH1A1
SCHEMBL5114606 0.79 TRPM8 (0.46) TRPM8TRPA1EPHX1OPRM1ALDH1A1
Bicarbonate SCHEMBL1660906 0.79 EPHX1 (0.47) TRPM8TRPA1EPHX1ALDH1A1LMNA
Water SCHEMBL30690409 0.79 TRPM8 (0.48) TRPM8TRPA1EPHX1OPRM1ALDH1A1
SCHEMBL28738013 0.77 TRPM8 (0.47) TRPM8TRPA1EPHX1ALDH1A1LMNA
SCHEMBL4389935 0.77 TRPM8 (0.65) TRPM8TRPA1EPHX1ALDH1A1LMNA
SCHEMBL13465301 0.77 TRPM8 (0.65) TRPM8TRPA1EPHX1ALDH1A1LMNA
SCHEMBL11215068 0.76 TRPM8 (0.42) TRPM8TRPA1EPHX1OPRM1ALDH1A1

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-3383200-B1 COMPOSITIONS SYMRISE AG (DE) 2019-11-06 EP claimed
US-20190289886-A1 SUBSTANCE MIXTURES SYMRISE AG (DE) 2019-09-26 US claimed

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-20190289886-A1 SUBSTANCE MIXTURES PNN, NISCH, HES1 TRPM8 552/4885TRPA1 158/4885EPHX1 3257/4885

“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.