SCHEMBL1889290

SCHEMBL1889290

CC(Cc1ccccc1)C(CO)Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.70
CYP2D6 P10635 1/20 0.55
TAAR1 Q96RJ0 4/20 0.48
SIGMAR1 Q99720 4/20 0.48
SLC6A2 P23975 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
SLC18A2 Q05940 1/20 0.45
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 1/20 0.42
IDO1 P14902 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL3123281 0.85 TRPA1 (0.67) TRPA1CYP2D6TAAR1SIGMAR1SLC6A2
SCHEMBL16202807 0.85 TRPA1 (0.67) TRPA1CYP2D6TAAR1SIGMAR1SLC6A2
SCHEMBL3123290 0.85 TRPA1 (0.67) TRPA1CYP2D6TAAR1SIGMAR1SLC6A2
SCHEMBL17418354 0.84 TRPA1 (0.58) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL10338651 0.84 TRPA1 (0.58) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL4437952 0.83 TRPA1 (0.59) TRPA1CYP2D6TAAR1SIGMAR1SLC6A2
SCHEMBL15101101 0.83 TRPA1 (1.00) TRPA1CYP2D6TAAR1SIGMAR1SLC6A2
SCHEMBL26456001 0.82 TRPA1 (0.53) TRPA1CYP2D6TAAR1SIGMAR1SLC6A2
SCHEMBL30468830 0.82 TAAR1 (0.53) TRPA1CYP2D6TAAR1SLC6A2SLC6A3
SCHEMBL9242001 0.81 TRPA1 (0.62) TRPA1CYP2D6TAAR1SIGMAR1SLC6A2

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-8288613-B2 Lignan hydroxylase SUNTORY HOLDINGS LIMITED (JP) 2012-10-16 US disclosed
US-20110104360-A1 LIGNAN HYDROXYLASE SUNTORY HOLDINGS LIMITED (JP) 2011-05-05 US disclosed
EP-2246418-A1 LIGNAN HYDROXYLASE Suntory Holdings Limited (JP) 2010-11-03 EP 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-20110104360-A1 LIGNAN HYDROXYLASE HPD, DNPH1, RNGTT TRPA1 3137/4885CYP2D6 294/4885TAAR1 3221/4885

“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.