SCHEMBL20917014

SCHEMBL20917014

C=C(C)C(C)(C)C(CCCC)=NO

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.32
CES1 P23141 2/20 0.31
CES2 O00748 1/20 0.30

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
SCHEMBL20939835 1.00 TRPA1 (0.32) TRPA1CES1CES2
SCHEMBL20917207 0.94 CES1 (0.32) CES1CES2
SCHEMBL22441159 0.94 CES1 (0.32) CES1CES2
SCHEMBL20939906 0.94 CES1 (0.32) CES1CES2
SCHEMBL20917013 0.88
SCHEMBL20939830 0.88
SCHEMBL20917030 0.79 GAA (0.30)
SCHEMBL20917032 0.79 GAA (0.30)
SCHEMBL20939505 0.74
SCHEMBL22441143 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11549079-B2 Odorants and compositions comprising odorants S H KELKAR & COMPANY LIMITED 2023-01-10 US claimed
US-20200299611-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS S H KELKAR & COMPANY LIMITED (IN) 2020-09-24 US claimed
US-11549079-B2 Odorants and compositions comprising odorants S H KELKAR & COMPANY LIMITED 2023-01-10 US disclosed
US-20200299611-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS S H KELKAR & COMPANY LIMITED (IN) 2020-09-24 US disclosed
EP-3697877-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS S. H. Kelkar&Company Pvt. Ltd. (IN) 2020-08-26 EP disclosed
CN-111448299-A Odorants and compositions comprising odorants 丝趣科尔卡有限公司 2020-07-24 CN disclosed
WO-2019076926-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS S H KELKAR & COMPANY LIMITED (IN) 2019-04-25 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 (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-20200299611-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS DEK, CAT, TAS2R41 TRPA1 167/4885CES1 1806/4885CES2 1229/4885
US-11549079-B2 Odorants and compositions comprising odorants DEK, CAT, TAS2R41 TRPA1 167/4885CES1 1806/4885CES2 1229/4885

“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.