SCHEMBL23713624

SCHEMBL23713624

Pc1ccc(C2CCCC3(CCCC3)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
ESR2 Q92731 4/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL23713609 0.81 TRPA1 (0.41) TRPA1ESR2ESR1
SCHEMBL21559944 0.81 TRPA1 (0.41) TRPA1ESR2ESR1
SCHEMBL18899507 0.81 TRPA1 (0.45) TRPA1ESR2ESR1
SCHEMBL8718208 0.81 TRPA1 (0.61) TRPA1
SCHEMBL10012147 0.73 HTT (0.44) ESR2
SCHEMBL8718206 0.72 TRPA1 (0.50) TRPA1ESR2ESR1
SCHEMBL23713634 0.69 TRPA1 (0.41) TRPA1
SCHEMBL19232345 0.67 ESR2 (0.40) ESR2ESR1
SCHEMBL8718213 0.64 HTR2C (0.47) TRPA1
SCHEMBL19027310 0.63 ALDH1A1 (0.41) TRPA1

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-11077098-B2 Opioid receptor ligands and methods of using and making same TREVENA, INC. (US) 2021-08-03 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-11077098-B2 Opioid receptor ligands and methods of using and making same OPRL1, OPRK1, OPRM1 TRPA1 216/4885ESR2 326/4885ESR1 570/4885

“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.