SCHEMBL6796989

SCHEMBL6796989

C=CCCCCCCCC(C)(C=O)CC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.35
ABCC4 O15439 1/20 0.35
LMNA P02545 2/20 0.35
LPAR2 Q9HBW0 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
ACLY P53396 1/20 0.32
USP2 O75604 2/20 0.32
CYP3A4 P08684 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RECQL P46063 1/20 0.32
HPGD P15428 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
SCHEMBL6792415 0.79 TSHR (0.41) TSHRLPAR3
SCHEMBL6798591 0.79 TSHR (0.41) TSHRLPAR3
SCHEMBL6796097 0.79 TSHR (0.41) TSHRLPAR3
SCHEMBL6797613 0.79 TSHR (0.41) TSHRLPAR3
SCHEMBL6797179 0.79 TSHR (0.41) TSHRLPAR3
SCHEMBL6804297 0.79 ACLY (0.39) MAPTLMNAACLYUSP2CYP3A4
SCHEMBL6804293 0.79 ACLY (0.39) MAPTLMNAACLYUSP2CYP3A4
SCHEMBL3119005 0.78 TSHR (0.44) TSHRALDH1A1MAPTABCC4LMNA
SCHEMBL2521791 0.76 TSHR (0.48) TSHRALDH1A1MAPTABCC4LMNA
SCHEMBL21286888 0.76 TSHR (0.43) TSHRALDH1A1MAPTABCC4LMNA

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 TSHR 4138/4885ALDH1A1 51/4885MAPT 2182/4885

“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.