SCHEMBL4092495

SCHEMBL4092495

C=CC=Cc1cc(OC)c(OC)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP1A1 P04798 7/20 0.56
CYP1B1 Q16678 7/20 0.56
CYP1A2 P05177 6/20 0.56
NFE2L2 Q16236 2/20 0.53
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TSHR P16473 2/20 0.52
ABCG2 Q9UNQ0 1/20 0.47
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
NOD2 Q9HC29 1/20 0.40
APP P05067 1/20 0.39
SNCA P37840 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PRKDC P78527 1/20 0.38

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
SCHEMBL4092493 1.00 HMGCR (0.61) HMGCRCYP3A4CYP1A1CYP1B1CYP1A2
SCHEMBL975614 0.79 ALDH1A1 (0.63) HMGCRCYP3A4CYP1A1CYP1B1CYP1A2
SCHEMBL975613 0.79 ALDH1A1 (0.63) HMGCRCYP3A4CYP1A1CYP1B1CYP1A2
SCHEMBL5603597 0.78 ALDH1A1 (0.60) HMGCRCYP3A4CYP1A1CYP1B1CYP1A2
Hydrochloric Acid SCHEMBL27229018 0.77 TAAR1 (0.53)
Cis-Asarone SCHEMBL528747 0.76 HMGCR (1.00) HMGCRCYP3A4CYP1A1CYP1B1CYP1A2
Trans-Asarone SCHEMBL528746 0.76 HMGCR (1.00) HMGCRCYP3A4CYP1A1CYP1B1CYP1A2
Trans-Asarone SCHEMBL940800 0.76 HMGCR (1.00) HMGCRCYP3A4CYP1A1CYP1B1CYP1A2
Trans-Asarone SCHEMBL29433647 0.76 HMGCR (1.00) HMGCRCYP3A4CYP1A1CYP1B1CYP1A2
Cis-Asarone SCHEMBL29655982 0.76 HMGCR (1.00) HMGCRCYP3A4CYP1A1CYP1B1CYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090202666-A1 COSMETIC USE OF A CASSUMUNARIN, AN ARYLBUTENOID, AND/OR A BOTANICAL EXTRACT CONTAINING THEM CHANEL PARFUMS BEAUTE (FR) 2009-08-13 US claimed
EP-1870136-A1 Cosmetic use of a cussumunarine, an arylbutenoid and/or a plant extract containing the same Chanel Parfums Beauté (FR) 2007-12-26 EP claimed
WO-2007144270-A1 COSMETIC USE OF A CASSUMUNARIN, AN ARYLBUTENOID, AND/OR A BOTANICAL EXTRACT CONTAINING THEM CHANEL PARFUMS BEAUTE (FR) 2007-12-21 WO claimed
US-20090202666-A1 COSMETIC USE OF A CASSUMUNARIN, AN ARYLBUTENOID, AND/OR A BOTANICAL EXTRACT CONTAINING THEM CHANEL PARFUMS BEAUTE (FR) 2009-08-13 US disclosed
EP-1870136-A1 Cosmetic use of a cussumunarine, an arylbutenoid and/or a plant extract containing the same Chanel Parfums Beauté (FR) 2007-12-26 EP disclosed
WO-2007144270-A1 COSMETIC USE OF A CASSUMUNARIN, AN ARYLBUTENOID, AND/OR A BOTANICAL EXTRACT CONTAINING THEM CHANEL PARFUMS BEAUTE (FR) 2007-12-21 WO 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-20090202666-A1 COSMETIC USE OF A CASSUMUNARIN, AN ARYLBUTENOID, AND/OR A BOTANICAL EXTRACT CONTAINING THEM ARNT, AHR, CUTA HMGCR 155/4885CYP3A4 616/4885CYP1A1 109/4885

“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.