SCHEMBL3113752

SCHEMBL3113752

C=C(C)Oc1ccc(C(=O)c2ccccc2)c(O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.68
LMNA P02545 5/20 0.68
MAPK1 P28482 4/20 0.68
ALDH1A1 P00352 3/20 0.68
CYP1A2 P05177 2/20 0.68
PGR P06401 2/20 0.68
SLC6A2 P23975 2/20 0.68
CYP2C19 P33261 2/20 0.68
HTT P42858 2/20 0.68
CYP2D6 P10635 1/20 0.68
PDE4A P27815 1/20 0.68
HRH1 P35367 1/20 0.68
SLC6A3 Q01959 1/20 0.68
PDE4D Q08499 1/20 0.68
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
USP2 O75604 1/20 0.59
GAA P10253 1/20 0.59
KEAP1 Q14145 1/20 0.59
NFE2L2 Q16236 1/20 0.59

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
SCHEMBL996990 0.89 HPGD (0.74) HPGDLMNAMAPK1ALDH1A1CYP1A2
SCHEMBL212246 0.89 ELANE (0.67) HPGDLMNAMAPK1ALDH1A1CYP1A2
SCHEMBL29390458 0.89 ELANE (0.67) HPGDLMNAMAPK1ALDH1A1CYP1A2
SCHEMBL3120551 0.85 MAPT (0.76) HPGDLMNAMAPK1ALDH1A1CYP1A2
SCHEMBL28095132 0.85 HPGD (0.68) HPGDLMNAMAPK1ALDH1A1CYP1A2
1,1-Dichloroethene SCHEMBL9291068 0.85 ELANE (0.62) HPGDLMNAMAPK1ALDH1A1CYP1A2
SCHEMBL29069520 0.83 HPGD (0.62) HPGDLMNAMAPK1ALDH1A1CYP1A2
SCHEMBL30772438 0.83 HPGD (0.69) HPGDLMNAMAPK1ALDH1A1CYP1A2
SCHEMBL563931 0.83 HPGD (0.69) HPGDLMNAMAPK1ALDH1A1CYP1A2
SCHEMBL25305866 0.82 LMNA (0.73) HPGDLMNAMAPK1ALDH1A1CYP1A2

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-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 3462/4885MAPK1 2088/4885
US-20090088592-A1 AROMATIC VINYL ETHER COMPOUNDS SUV39H2, SUV39H1, RAVER1 HPGD 2410/4885LMNA 3420/4885MAPK1 3015/4885

“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.