SCHEMBL4598936

SCHEMBL4598936

COc1cccc(C=O)c1OCC=C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.55
ERN1 O75460 1/20 0.55
TLR1 Q15399 1/20 0.55
TLR6 Q9Y2C9 1/20 0.55
SRC P12931 1/20 0.55
ALOX5 P09917 2/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
TRPA1 O75762 1/20 0.45
MTNR1A P48039 1/20 0.45
NFE2L2 Q16236 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CASP1 P29466 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
SCHEMBL4441533 0.91 ERN1 (0.46) TLR2ERN1TLR1TLR6SRC
SCHEMBL4445460 0.87 TLR2 (0.43) TLR2ERN1TLR1TLR6SRC
SCHEMBL6605597 0.84 SRC (0.56) TLR2ERN1TLR1TLR6SRC
SCHEMBL14172740 0.82 KDM4E (0.60) TLR2ERN1TLR1TLR6SRC
SCHEMBL4447175 0.82 ALDH1A1 (0.43) TLR2ERN1TLR1TLR6SRC
SCHEMBL20068208 0.81 TLR2 (0.57) TLR2ERN1TLR1TLR6SRC
SCHEMBL4438654 0.81 ERN1 (0.49) TLR2ERN1TLR1TLR6SRC
SCHEMBL1125257 0.80 SRC (0.58) TLR2ERN1TLR1TLR6SRC
SCHEMBL4241452 0.80 ALDH1A1 (0.61) TLR2ERN1TLR1TLR6SRC
SCHEMBL7357540 0.79 NPC1 (0.59) TLR2ERN1TLR1TLR6SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 TLR2 4048/4885ERN1 2078/4885TLR1 3925/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP TLR2 4048/4885ERN1 2078/4885TLR1 3925/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP TLR2 4048/4885ERN1 2078/4885TLR1 3925/4885

“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.