SCHEMBL4437245

SCHEMBL4437245

COc1cccc(OCC=C(C)C)c1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.50
MTNR1A P48039 1/20 0.50
ALOX5 P09917 4/20 0.48
TLR2 O60603 1/20 0.46
ERN1 O75460 1/20 0.46
TLR1 Q15399 1/20 0.46
TLR6 Q9Y2C9 1/20 0.46
PTGES O14684 4/20 0.46
PDE4B Q07343 2/20 0.43
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CASP1 P29466 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL4556003 0.88 ALOX15 (0.55) MTNR1APTGESMAPTALOX15
SCHEMBL4556002 0.88 ALOX15 (0.55) MTNR1APTGESMAPTALOX15
SCHEMBL26934664 0.83 ERN1 (0.43) TLR2ERN1TLR1TLR6ABCG2
SCHEMBL791960 0.80 SMN1; SMN2 (0.55) TRPA1MTNR1AALOX5PTGESPDE4B
SCHEMBL31562349 0.79 POLB (0.65) TLR2ERN1TLR1TLR6KDM4E
SCHEMBL170690 0.79 ERN1 (0.55) TLR2ERN1TLR1TLR6KDM4E
SCHEMBL4598936 0.79 TLR2 (0.55) TRPA1MTNR1AALOX5TLR2ERN1
SCHEMBL747870 0.78 TLR2 (0.44) TLR2ERN1TLR1TLR6KDM4E
SCHEMBL2291036 0.78 ALDH1A1 (0.52) TLR2ERN1TLR1TLR6KDM4E
SCHEMBL14521045 0.78 ALDH1A1 (0.50) TLR2ERN1TLR1TLR6KDM4E

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 21 patents — showing the first 20. 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-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US 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-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 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
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 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-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 US 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
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 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
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 TRPA1 4156/4885MTNR1A 1426/4885ALOX5 1389/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP TRPA1 4156/4885MTNR1A 1426/4885ALOX5 1389/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP TRPA1 4156/4885MTNR1A 1426/4885ALOX5 1389/4885

“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.