SCHEMBL17822145

SCHEMBL17822145

CC(C)(O)CCCC=CCCC=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.44
FAAH O00519 4/20 0.40
TRPV1 Q8NER1 2/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.36
TOP1 P11387 2/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL17822143 1.00 ACLY (0.44) ACLYFAAHTRPV1ALDH1A1MAPT
SCHEMBL27509626 0.86
SCHEMBL6446657 0.86 ALDH1A1 (0.50) ACLYFAAHALDH1A1MAPTTOP1
SCHEMBL6446661 0.86 ALDH1A1 (0.50) ACLYFAAHALDH1A1MAPTTOP1
SCHEMBL17822170 0.83 TRPV1 (0.45) ACLYFAAHTRPV1ALDH1A1MAPT
SCHEMBL17822169 0.83 TRPV1 (0.45) ACLYFAAHTRPV1ALDH1A1MAPT
SCHEMBL7704790 0.78 ALDH1A1 (0.38) ACLYFAAHTRPV1ALDH1A1MAPT
SCHEMBL9391580 0.77 TSHR (0.48) ACLYFAAHTRPV1ALDH1A1MAPT
SCHEMBL17500181 0.77 TSHR (0.48) ACLYFAAHTRPV1ALDH1A1MAPT
SCHEMBL12204769 0.77 TSHR (0.48) ACLYFAAHTRPV1ALDH1A1MAPT

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 ACLY 2410/4885FAAH 60/4885TRPV1 277/4885
US-20170327769-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AND THEIR USE AS FRAGRANCE INGREDIENTS C5, C9, DHCR24 ACLY 2958/4885FAAH 58/4885TRPV1 424/4885

“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.