SCHEMBL25243780

SCHEMBL25243780

C[C@@H]1CC[C@@H]([C@]2(C)CO2)[C@H](O)C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.39
TRPM8 Q7Z2W7 2/20 0.39
ABCB1 P08183 1/20 0.33
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL25784691 1.00 TRPA1 (0.39) TRPA1TRPM8ABCB1MAPK1NPSR1
SCHEMBL25784701 1.00 TRPA1 (0.39) TRPA1TRPM8ABCB1MAPK1NPSR1
SCHEMBL13790042 1.00 TRPA1 (0.39) TRPA1TRPM8ABCB1MAPK1NPSR1
SCHEMBL25250848 1.00 TRPA1 (0.39) TRPA1TRPM8ABCB1MAPK1NPSR1
SCHEMBL2698895 1.00 TRPA1 (0.39) TRPA1TRPM8ABCB1MAPK1NPSR1
SCHEMBL25784634 0.79 ABCB1 (0.35) ABCB1
SCHEMBL25784801 0.75 TRPA1 (0.42) TRPA1TRPM8ABCB1
SCHEMBL21333786 0.73 TRPA1 (0.32) TRPA1TRPM8
SCHEMBL8428196 0.68 CA1 (0.33)
SCHEMBL20863050 0.65

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 4 patents. 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
US-20230202996-A1 SYNTHETIC METHODS FOR MAKING CARBOXYLIC ACIDS, ESTERS AND LACTONES P2 SCIENCE, INC. 2023-06-29 US disclosed
WO-2023122724-A1 IMPROVED SYNTHETIC METHODS FOR MAKING CARBOXYLIC ACIDS, ESTERS AND LACTONES P2 SCIENCE, INC. (US) 2023-06-29 WO disclosed
WO-2023122724-A1 IMPROVED SYNTHETIC METHODS FOR MAKING CARBOXYLIC ACIDS, ESTERS AND LACTONES P2 SCIENCE, INC. (US) 2023-06-29 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-20230202996-A1 SYNTHETIC METHODS FOR MAKING CARBOXYLIC ACIDS, ESTERS AND LACTONES FDFT1, DLST, PCMT1 TRPA1 677/4885TRPM8 1032/4885ABCB1 4768/4885

“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.