SCHEMBL6796980

SCHEMBL6796980

CCC(C)(C=O)OCC(C)CCC=C(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.39
USP2 O75604 1/20 0.34
NFE2L2 Q16236 1/20 0.33
GGPS1 O95749 2/20 0.32
FDPS P14324 2/20 0.32
TDP1 Q9NUW8 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
SCHEMBL6795513 0.83 ALOX15 (0.46) ALOX15ALDH1A1TSHRUSP2NFE2L2
SCHEMBL6798188 0.72 ALOX15 (0.49) ALOX15ALDH1A1TSHRUSP2NFE2L2
SCHEMBL25666802 0.72 ALOX15 (0.52) ALOX15ALDH1A1TSHRUSP2NFE2L2
SCHEMBL6796999 0.71 GGPS1 (0.51) ALOX15ALDH1A1GGPS1
SCHEMBL6797001 0.71 GGPS1 (0.51) ALOX15ALDH1A1GGPS1
SCHEMBL11866536 0.70 ALOX15 (0.65) ALOX15ALDH1A1TSHRUSP2NFE2L2
SCHEMBL28636148 0.70 ALOX15 (0.47) ALOX15ALDH1A1TSHRUSP2NFE2L2
SCHEMBL6798981 0.69 ALOX15 (0.44) ALOX15ALDH1A1TSHRUSP2
SCHEMBL6795027 0.68 ALOX15 (0.52) ALOX15ALDH1A1TSHRUSP2NFE2L2
Formic Acid SCHEMBL28284615 0.68 ALOX15 (0.55) ALOX15ALDH1A1TSHRUSP2NFE2L2

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 ALOX15 1397/4885ALDH1A1 51/4885TSHR 4138/4885

“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.