SCHEMBL25784654

SCHEMBL25784654

C[C@@H]1CC[C@@H]([C@@H](C)C(=O)O)[C@H](C)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.46
TRPM8 Q7Z2W7 5/20 0.44
TRPA1 O75762 2/20 0.44
KCNA5 P22460 1/20 0.35
TRPV1 Q8NER1 3/20 0.35
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 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
SCHEMBL28108983 1.00 EPHX1 (0.46) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL25782579 0.82 TRPM8 (0.62) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL9951715 0.82 EPHX1 (0.53) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL25782581 0.82 TRPM8 (0.62) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL3274993 0.82 EPHX1 (0.53) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL25782603 0.82 TRPM8 (0.62) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL1863233 0.78
SCHEMBL9623281 0.78 EPHX1 (0.41) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL11250069 0.77 EPHX1 (0.33) EPHX1TRPM8TRPA1ALDH1A1
SCHEMBL19155102 0.75 EPHX1 (0.40) EPHX1TRPM8TRPA1TRPV1ALDH1A1

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-20230202996-A1 SYNTHETIC METHODS FOR MAKING CARBOXYLIC ACIDS, ESTERS AND LACTONES P2 SCIENCE, INC. 2023-06-29 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-20230202996-A1 SYNTHETIC METHODS FOR MAKING CARBOXYLIC ACIDS, ESTERS AND LACTONES FDFT1, DLST, PCMT1 EPHX1 1836/4885TRPM8 1032/4885TRPA1 677/4885

“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.