SCHEMBL4116019

SCHEMBL4116019

C/C=C/CC/C=C/CC/C=C/C=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.46
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.39
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
GAPDH P04406 1/20 0.32

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
SCHEMBL4116023 1.00 TRPA1 (0.46) TRPA1MAPK1ALDH1A1TSHRPPARG
SCHEMBL245165 0.97
SCHEMBL245164 0.97
SCHEMBL1300754 0.97
SCHEMBL16072963 0.97
SCHEMBL18941529 0.97
SCHEMBL8013987 0.97
SCHEMBL1119096 0.97
SCHEMBL7299549 0.86 ALDH1A1 (0.54) TRPA1MAPK1ALDH1A1TSHRPPARG
SCHEMBL18941494 0.86 ALDH1A1 (0.54) TRPA1MAPK1ALDH1A1TSHRPPARG

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-20090092642-A1 Skin and/or Hair Products, Containing Compounds With an Isoprenoid Structure BEIERSDORF AG (DE) 2009-04-09 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-20090092642-A1 Skin and/or Hair Products, Containing Compounds With an Isoprenoid Structure SRD5A2, SRD5A1, CUTA TRPA1 2444/4885MAPK1 3491/4885ALDH1A1 2012/4885

“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.