SCHEMBL6798394

SCHEMBL6798394

CCC(C)(C=O)C(C)CCCC(C)(C)OC

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.34

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
SCHEMBL6798521 0.81 ALDH1A1 (0.40) ALDH1A1TDP1LMNACYP3A4
SCHEMBL6796903 0.81 MEN1 (0.33) ALDH1A1CYP3A4
SCHEMBL6793237 0.77 LMNA (0.39) LMNACYP3A4
SCHEMBL5138295 0.74 TSHR (0.32) TSHR
SCHEMBL20819487 0.74 CYP3A4 (0.52) ALDH1A1TDP1LMNACYP3A4
SCHEMBL113867 0.74 CYP3A4 (0.52) ALDH1A1TDP1LMNACYP3A4
SCHEMBL29619785 0.73 ALDH1A1 (0.41) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL225537 0.73 ALDH1A1 (0.41) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL12760667 0.72 CYP3A4 (0.45) ALDH1A1TDP1LMNACYP3A4
SCHEMBL5322857 0.72 ALDH1A1 (0.43) ALDH1A1TDP1LMNACYP3A4TSHR

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 1 patent. 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

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 ALDH1A1 51/4885TDP1 3502/4885LMNA 1333/4885

“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.