SCHEMBL6798188

SCHEMBL6798188

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.49
ALDH1A1 P00352 2/20 0.49
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.35
NFE2L2 Q16236 1/20 0.34
GGPS1 O95749 2/20 0.33
FDPS P14324 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6795027 0.83 ALOX15 (0.52) ALOX15ALDH1A1USP2TSHRTDP1
SCHEMBL6792067 0.81 ALOX15 (0.44) ALOX15ALDH1A1TSHRGGPS1MEN1
SCHEMBL7631412 0.80 ALOX15 (0.52) ALOX15ALDH1A1USP2TSHRTDP1
SCHEMBL712668 0.75 ALOX15 (0.59) ALOX15ALDH1A1USP2TSHRTDP1
SCHEMBL275391 0.75 MEN1 (0.40) ALOX15MEN1CYP3A4KMT2A
SCHEMBL1200445 0.75 ALOX15 (0.63) ALOX15ALDH1A1USP2TSHRTDP1
SCHEMBL1200446 0.75 ALOX15 (0.63) ALOX15ALDH1A1USP2TSHRTDP1
SCHEMBL6798981 0.75 ALOX15 (0.44) ALOX15ALDH1A1USP2TSHR
SCHEMBL3108390 0.73 ALOX15 (0.61) ALOX15ALDH1A1USP2TSHRTDP1
SCHEMBL21962026 0.73 ALOX15 (0.61) ALOX15ALDH1A1USP2TSHRTDP1

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 ALOX15 1397/4885ALDH1A1 51/4885USP2 1152/4885

“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.