SCHEMBL3754987

SCHEMBL3754987

COC(=O)C1C(C)=CC(O)CC12CCCC2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL3754988 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3637290 0.85 ALDH1A1 (0.38) ALDH1A1
SCHEMBL3646894 0.83 HSD11B1 (0.30)
SCHEMBL3754324 0.83 CYP3A4 (0.32) ALDH1A1
SCHEMBL3750197 0.83 HSD11B1 (0.30)
SCHEMBL3642314 0.83 CYP3A4 (0.32) ALDH1A1
SCHEMBL3640341 0.83 HSD11B1 (0.30)
SCHEMBL3750192 0.83 HSD11B1 (0.30)
SCHEMBL3754321 0.83 CYP3A4 (0.32) ALDH1A1
SCHEMBL3751684 0.80

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167621-B1 ORGANIC COMPOUNDS AS ODORANTS GIVAUDAN SA (CH) 2017-10-11 EP disclosed
US-9012391-B2 Organic compounds GIVAUDAN SA (CH) 2015-04-21 US disclosed
US-20100292128-A1 Organic Compounds GIVAUDAN SA (CH) 2010-11-18 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-20100292128-A1 Organic Compounds TRPA1, FASN, OR10J3 ALDH1A1 99/4885

“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.