SCHEMBL6804297

SCHEMBL6804297

CC=CCCCCCC(C)(C=O)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.39
FAAH O00519 7/20 0.35
TRPV1 Q8NER1 1/20 0.35
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 3/20 0.33
BLM P54132 3/20 0.33
HSD17B10 Q99714 3/20 0.33
GMNN O75496 2/20 0.33
USP2 O75604 2/20 0.33
POLB P06746 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
APEX1 P27695 2/20 0.33
RECQL P46063 2/20 0.33
CYP2D6 P10635 1/20 0.33
CES1 P23141 2/20 0.32
TERT O14746 3/20 0.32
PTPN1 P18031 3/20 0.32
MAPT P10636 2/20 0.32
FABP4 P15090 2/20 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
SCHEMBL6804293 1.00 ACLY (0.39) ACLYFAAHTRPV1CYP1A2CYP2C19
SCHEMBL13491367 0.81 ALDH1A1 (0.47) ACLYTRPV1BLMHSD17B10CYP3A4
SCHEMBL6796989 0.79 TSHR (0.45) ACLYUSP2CYP3A4RECQLMAPT
SCHEMBL6797320 0.79 ACLY (0.42) ACLYFAAHTRPV1CYP1A2CYP2C19
SCHEMBL6797322 0.79 ACLY (0.42) ACLYFAAHTRPV1CYP1A2CYP2C19
SCHEMBL6797179 0.78 TSHR (0.41) FAAHTRPV1
SCHEMBL6797613 0.78 TSHR (0.41) FAAHTRPV1
SCHEMBL6792415 0.78 TSHR (0.41) FAAHTRPV1
SCHEMBL6798591 0.78 TSHR (0.41) FAAHTRPV1
SCHEMBL6796097 0.78 TSHR (0.41) FAAHTRPV1

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
US-20040067870-A1 Fragrance raw materials aldehydes and pro-fragrances having a tertiary alpha carbon atom THE PROCTER & GAMBLE COMPANY 2004-04-08 US disclosed
EP-1171556-A1 FRAGRANCE RAW MATERIALS ALDEHYDES AND PRO-FRAGRANCES HAVING A TERTIARY ALPHA CARBON ATOM THE PROCTER & GAMBLE COMPANY (US) 2002-01-16 EP disclosed
WO-2000063329-A1 FRAGRANCE RAW MATERIALS ALDEHYDES AND PRO-FRAGRANCES HAVING A TERTIARY ALPHA CARBON ATOM THE PROCTER & GAMBLE COMPANY (US) 2000-10-26 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 (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-20040067870-A1 Fragrance raw materials aldehydes and pro-fragrances having a tertiary alpha carbon atom CUTA, TRPA1, HRH1 ACLY 606/4885FAAH 8/4885TRPV1 15/4885

“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.