SCHEMBL4435362

SCHEMBL4435362

COc1cc(Cl)cc(C=O)c1OCC=C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.54
GAA P10253 3/20 0.45
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
MGAM O43451 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43

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
SCHEMBL4442689 0.84 ORAI1 (0.46) ERN1GAAMAPTTDP1ALDH1A1
SCHEMBL4449204 0.83 CYP2C19 (0.60) ERN1GAAPTGS1PTGS2CYP2C19
SCHEMBL27889697 0.81 ERN1 (0.57) ERN1GAACYP2C19KDM4EL3MBTL1
SCHEMBL30973586 0.80 ERN1 (0.55) ERN1GAACYP2C19KDM4EMAPT
SCHEMBL5883425 0.79 KDM4E (0.66) ERN1GAACYP2C19KDM4EL3MBTL1
SCHEMBL1748175 0.78 ERN1 (0.66) ERN1GAACYP2C19KDM4EL3MBTL1
SCHEMBL4598936 0.77 TLR2 (0.55) ERN1GAAPTGS1PTGS2CYP2C19
SCHEMBL6090664 0.76 ERN1 (0.51) ERN1GAACYP2C19KDM4EMAPT
SCHEMBL4556339 0.74 ERN1 (0.52) ERN1GAAKDM4EMAPTL3MBTL1
SCHEMBL7179024 0.71 ALDH1A1 (0.61) GAAKDM4EMAPTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097410-A1 HETEROARYL-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS Green Cross Corporation (KR) 2009-09-09 EP claimed
WO-2008039023-A1 HETEROARYL-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS GREEN CROSS CORPORATION (KR) 2008-04-03 WO claimed
EP-2125825-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2009-12-02 EP disclosed
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US disclosed
US-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US disclosed
WO-2008079139-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-07-03 WO disclosed
EP-1907395-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-04-09 EP disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 US disclosed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US disclosed
WO-2007002867-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-01-04 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 (3 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-20070191379-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP ERN1 2078/4885GAA 441/4885PTGS1 1006/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP ERN1 2078/4885GAA 441/4885PTGS1 1006/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP ERN1 2078/4885GAA 441/4885PTGS1 1006/4885

“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.