SCHEMBL3113786

SCHEMBL3113786

C=COc1ccccc1C(=O)c1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.45
LMNA P02545 2/20 0.45
AR P10275 2/20 0.45
ALOX15 P16050 2/20 0.45
HIF1A Q16665 2/20 0.45
CYP1A2 P05177 1/20 0.45
PGR P06401 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
TBXA2R P21731 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP2C19 P33261 1/20 0.45
ADRA1A P35348 1/20 0.45
GSTA1 P08263 2/20 0.45
LIG1 P18858 1/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 3/20 0.44
CA1 P00915 2/20 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
SCHEMBL3109985 0.91 ELANE (0.47) HPGDLMNAALOX15CYP3A4LIG1
SCHEMBL4499103 0.81 ELANE (0.53) HPGDLMNAALOX15CYP3A4KDM4E
SCHEMBL4063222 0.79 LIG1 (0.61) HPGDLMNAARALOX15HIF1A
SCHEMBL32687438 0.78 KDM4E (0.56) HPGDLMNAALOX15CYP1A2KDM4E
SCHEMBL4209791 0.78 KDM4E (0.56) HPGDLMNAALOX15CYP1A2KDM4E
SCHEMBL1883142 0.77 TSHR (0.50) HPGDLMNAALOX15HIF1ACYP3A4
2,2'-Dihydroxybenzphenone SCHEMBL18422 0.77 HPGD (0.67) HPGDLMNAARALOX15HIF1A
2,2'-Dihydroxybenzphenone SCHEMBL29572496 0.77 HPGD (0.67) HPGDLMNAARALOX15HIF1A
SCHEMBL4060271 0.77 LMNA (0.62) HPGDLMNAARALOX15HIF1A
SCHEMBL8608640 0.77 CYP3A4 (0.43) HPGDLMNACYP1A2CYP3A4LIG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7518021-B2 Aromatic vinyl ether compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-04-14 US claimed
US-7732645-B2 Aromatic vinyl ether compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-08 US disclosed
EP-2161248-A1 Aromatic vinyl ether compounds Daicel Chemical Industries, Ltd. (JP) 2010-03-10 EP disclosed
US-7518021-B2 Aromatic vinyl ether compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-04-14 US disclosed
US-20090088592-A1 AROMATIC VINYL ETHER COMPOUNDS IWAHAMA TAKAHIRO 2009-04-02 US disclosed
US-20040181098-A1 Aromatic vinyl ether compounds EMORY UNIVERSITY 2004-09-16 US disclosed
EP-1413568-A2 Aromatic vinyl ether compounds Daicel Chemical Industries, Ltd. (JP) 2004-04-28 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 (2 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-20040181098-A1 Aromatic vinyl ether compounds SUV39H2, SUV39H1, RAVER1 HPGD 2202/4885LMNA 3462/4885AR 447/4885
US-20090088592-A1 AROMATIC VINYL ETHER COMPOUNDS SUV39H2, SUV39H1, RAVER1 HPGD 2410/4885LMNA 3420/4885AR 273/4885

“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.