SCHEMBL6798104

SCHEMBL6798104

CC1(C=O)CC2CC1C1CCCC21

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7625098 0.75 ALDH1A1 (0.42) ALDH1A1GAAMAPT
SCHEMBL18636837 0.74 ALDH1A1 (0.44) ALDH1A1GAAMAPT
SCHEMBL6797198 0.74 ALDH1A1 (0.36) ALDH1A1GAAMAPT
SCHEMBL11801066 0.72 ALDH1A1 (0.44) ALDH1A1GAAMAPT
SCHEMBL24760392 0.71 ALDH1A1 (0.42) ALDH1A1GAAMAPT
SCHEMBL20000745 0.71 ALDH1A1 (0.42) ALDH1A1GAAMAPT
SCHEMBL19303433 0.71 ALDH1A1 (0.42) ALDH1A1GAAMAPT
SCHEMBL22600520 0.71 ALDH1A1 (0.42) ALDH1A1GAAMAPT
SCHEMBL22268519 0.71 ALDH1A1 (0.42) ALDH1A1GAAMAPT
SCHEMBL10151906 0.70 ALDH1A1 (0.41) ALDH1A1GAAMAPT

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 51/4885GAA 1790/4885MAPT 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.