SCHEMBL4449204

SCHEMBL4449204

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.60
ALDH1A1 P00352 2/20 0.60
CYP1A2 P05177 1/20 0.60
ERN1 O75460 1/20 0.54
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 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
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
TRPA1 O75762 1/20 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
SCHEMBL4435362 0.83 ERN1 (0.54) CYP2C19ALDH1A1CYP1A2ERN1PTGS1
SCHEMBL38659181 0.81 ALDH1A1 (0.71) CYP2C19ALDH1A1CYP1A2ERN1MAPT
SCHEMBL5883229 0.80 ALDH1A1 (0.62) CYP2C19ALDH1A1CYP1A2ERN1KDM4E
SCHEMBL295318 0.80 ALDH1A1 (0.61) CYP2C19ALDH1A1CYP1A2ERN1MAPT
SCHEMBL5882295 0.79 ALDH1A1 (0.72) CYP2C19ALDH1A1CYP1A2ERN1MAPT
SCHEMBL127848 0.78 ERN1 (0.66) CYP2C19ALDH1A1CYP1A2ERN1MAPT
SCHEMBL4598936 0.77 TLR2 (0.55) CYP2C19ALDH1A1ERN1PTGS1PTGS2
SCHEMBL7355863 0.76 ALDH1A1 (0.57) CYP2C19ALDH1A1CYP1A2ERN1MAPT
SCHEMBL4448846 0.75 PTGDR2 (0.64) CYP2C19ALDH1A1CYP1A2ERN1MAPT
SCHEMBL4441561 0.74 ERN1 (0.52) CYP2C19ALDH1A1CYP1A2ERN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP2C19 2867/4885ALDH1A1 1804/4885CYP1A2 1659/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP CYP2C19 2867/4885ALDH1A1 1804/4885CYP1A2 1659/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP CYP2C19 2867/4885ALDH1A1 1804/4885CYP1A2 1659/4885

“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.