SCHEMBL4556339

SCHEMBL4556339

COc1cc(Cl)cc(C=O)c1SCC=C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.52
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR6 Q9Y2C9 1/20 0.38
PRKDC P78527 1/20 0.36
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 2/20 0.34
METAP2 P50579 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4441561 0.84 ERN1 (0.52) ERN1TLR2TLR1TLR6PRKDC
SCHEMBL4439307 0.83 ERN1 (0.45) ERN1TDP1METAP2
SCHEMBL15358012 0.81 ERN1 (0.55) ERN1PRKDCALDH1A1KDM4ETSHR
SCHEMBL4440982 0.79 ERN1 (0.55) ERN1TLR2TLR1TLR6PRKDC
SCHEMBL4435362 0.74 ERN1 (0.54) ERN1ALDH1A1KDM4ETDP1GAA
SCHEMBL455724 0.70 ERN1 (1.00) ERN1ALDH1A1KDM4EGAAMAPT
SCHEMBL30933727 0.70 ERN1 (1.00) ERN1ALDH1A1KDM4EGAAMAPT
SCHEMBL28293621 0.69 ERN1 (0.68) ERN1TLR2TLR1TLR6PRKDC
SCHEMBL5053891 0.69 ERN1 (0.63) ERN1TLR2TLR1TLR6PRKDC
SCHEMBL4439388 0.69 ERN1 (0.45) ERN1TSHRMAPT

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