SCHEMBL4439253

SCHEMBL4439253

CC(C)=CCSc1ccc(Br)cc1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.39
LMNA P02545 2/20 0.36
ICMT O60725 1/20 0.36
GMNN O75496 1/20 0.36
TRPA1 O75762 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
CDK2 P24941 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTPN1 P18031 1/20 0.34
CYP2A6 P11509 2/20 0.33

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
SCHEMBL4438653 0.79 ERN1 (0.50) ERN1LMNACYP1A2POLBMAPT
SCHEMBL4439793 0.79 LMNA (0.47) ERN1PTGDR2LMNAICMTGMNN
SCHEMBL16528202 0.79 ERN1 (0.47) ERN1PTGDR2LMNAMAPTTSHR
SCHEMBL16359749 0.77 ERN1 (0.42) ERN1PTGDR2POLBMAPTTSHR
SCHEMBL12290960 0.76 ERN1 (0.49) ERN1PTGDR2LMNAGMNNCYP1A2
SCHEMBL4447280 0.75 TGM2 (0.37) ERN1LMNAICMTGMNNTRPA1
SCHEMBL31050324 0.73 ERN1 (0.52) ERN1PTGDR2LMNAPTPN1CYP2A6
SCHEMBL1017248 0.73 ERN1 (0.52) ERN1PTGDR2LMNAPTPN1CYP2A6
SCHEMBL12293113 0.73 ERN1 (0.44) ERN1PTGDR2LMNAPOLBPTPN1
SCHEMBL4435395 0.72 LMNA (0.41) ERN1LMNAICMTGMNNTRPA1

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 ERN1 2078/4885PTGDR2 2295/4885LMNA 830/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP ERN1 2078/4885PTGDR2 2295/4885LMNA 830/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP ERN1 2078/4885PTGDR2 2295/4885LMNA 830/4885

“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.