SCHEMBL17822170

SCHEMBL17822170

CC(C)(O)CCC=CCCCC=O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.45
FAAH O00519 2/20 0.45
HIF1A Q16665 1/20 0.43
MAPT P10636 1/20 0.40
ACLY P53396 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 2/20 0.37
CNR1 P21554 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
SCHEMBL17822169 1.00 TRPV1 (0.45) TRPV1FAAHHIF1AMAPTACLY
SCHEMBL17822145 0.83 ACLY (0.44) TRPV1FAAHHIF1AMAPTACLY
SCHEMBL17822143 0.83 ACLY (0.44) TRPV1FAAHHIF1AMAPTACLY
SCHEMBL27509626 0.81
SCHEMBL905182 0.81
Glutaral SCHEMBL29229225 0.78 HIF1A (0.62) TRPV1FAAHHIF1AMAPTACLY
SCHEMBL9391580 0.77 TSHR (0.48) TRPV1FAAHHIF1AMAPTACLY
SCHEMBL17500181 0.77 TSHR (0.48) TRPV1FAAHHIF1AMAPTACLY
SCHEMBL12204769 0.77 TSHR (0.48) TRPV1FAAHHIF1AMAPTACLY
SCHEMBL17520243 0.77 TSHR (0.48) TRPV1FAAHHIF1AMAPTACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230245-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AND THEIR USE AS FLAGRANCE INGREDIENTS GIVAUDAN SA (CH) 2020-06-10 EP disclosed
US-10450532-B2 Organic compounds and their use as fragrance ingredients GIVAUDAN S.A. (CH) 2019-10-22 US disclosed
US-20170327769-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AND THEIR USE AS FRAGRANCE INGREDIENTS GIVAUDAN S.A. (CH) 2017-11-16 US disclosed
EP-3230245-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AND THEIR USE AS FLAGRANCE INGREDIENTS Givaudan SA (CH) 2017-10-18 EP disclosed
WO-2016091895-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AND THEIR USE AS FLAGRANCE INGREDIENTS GIVAUDAN SA (CH) 2016-06-16 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-10450532-B2 Organic compounds and their use as fragrance ingredients C9, C5, HRH1 TRPV1 277/4885FAAH 60/4885HIF1A 383/4885
US-20170327769-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AND THEIR USE AS FRAGRANCE INGREDIENTS C5, C9, DHCR24 TRPV1 424/4885FAAH 58/4885HIF1A 257/4885

“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.