SCHEMBL21886041

SCHEMBL21886041

CC(=O)C1CC[C@@]2(C)CCCC3(C)C[C@]32C1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 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
SCHEMBL22856783 1.00 PTGS1 (0.33) PTGS1
SCHEMBL23740691 0.71 CYP1A2 (0.33) PTGS1
SCHEMBL23740692 0.70 PTGS1 (0.40) PTGS1
SCHEMBL23740751 0.69 CYP1A2 (0.32) PTGS1
SCHEMBL23740693 0.69 CYP1A2 (0.32) PTGS1
SCHEMBL23740684 0.69 CYP1A2 (0.32) PTGS1
SCHEMBL1786829 0.69 APLNR (0.46) PTGS1
SCHEMBL25971336 0.69 APLNR (0.46) PTGS1
SCHEMBL17414390 0.69 APLNR (0.46) PTGS1
SCHEMBL715584 0.66 APLNR (0.43)

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
US-10883066-B2 Vetiver odorant FIRMENICH SA (CH) 2021-01-05 US disclosed
US-20200109348-A1 VETIVER ODORANT FIRMENICH SA (CH) 2020-04-09 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 (2 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-10883066-B2 Vetiver odorant VIPR1, VIPR2, BLVRB PTGS1 1374/4885
US-20200109348-A1 VETIVER ODORANT VIPR1, VIPR2, BLVRB PTGS1 1374/4885

“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.