SCHEMBL6797320

SCHEMBL6797320

C/C=C/CCCCCC(C)(C)C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.42
FAAH O00519 5/20 0.34
TRPV1 Q8NER1 1/20 0.34
GMNN O75496 2/20 0.33
USP2 O75604 2/20 0.33
CYP1A2 P05177 2/20 0.33
POLB P06746 2/20 0.33
CYP2C9 P11712 2/20 0.33
APEX1 P27695 2/20 0.33
CYP2C19 P33261 2/20 0.33
RECQL P46063 2/20 0.33
BLM P54132 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
SOAT1 P35610 1/20 0.31
CES1 P23141 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 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
SCHEMBL6797322 1.00 ACLY (0.42) ACLYFAAHTRPV1GMNNUSP2
SCHEMBL18092731 0.98 ACLY (0.39) ACLYFAAHTRPV1GMNNUSP2
SCHEMBL18092730 0.98 ACLY (0.39) ACLYFAAHTRPV1GMNNUSP2
SCHEMBL28277864 0.91 ACLY (0.36) ACLYGMNNUSP2CYP1A2POLB
SCHEMBL20394571 0.91 ACLY (0.36) ACLYGMNNUSP2CYP1A2POLB
SCHEMBL1120302 0.82
SCHEMBL4742365 0.82
SCHEMBL11883972 0.82 FFAR1 (0.35) ACLYUSP2CYP1A2BLMCYP3A4
SCHEMBL7176503 0.80 TSHR (0.48) ACLYFAAHTRPV1
SCHEMBL18393493 0.80 TSHR (0.48) ACLYFAAHTRPV1

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.