SCHEMBL4438690

SCHEMBL4438690

COc1cccc(SCC=C(C)C)c1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.44
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
TLR6 Q9Y2C9 1/20 0.44
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CYP3A4 P08684 2/20 0.39
ICMT O60725 1/20 0.39
GMNN O75496 1/20 0.39
TRPA1 O75762 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CDK2 P24941 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL4440982 0.77 ERN1 (0.55) ERN1TLR2TLR1TLR6MTNR1A
SCHEMBL3397850 0.77 RAB9A (0.46) LMNAPOLBMAPTRECQLALDH1A1
SCHEMBL7056623 0.76 POLB (0.45) ERN1TLR2TLR1TLR6CYP1A2
SCHEMBL4437245 0.76 TRPA1 (0.50) ERN1TLR2TLR1TLR6MTNR1A
SCHEMBL170690 0.73 ERN1 (0.55) ERN1TLR2TLR1TLR6CYP3A4
SCHEMBL4441117 0.71 ERN1 (0.39) ERN1MTNR1AMTNR1BCYP3A4ICMT
SCHEMBL4439793 0.71 LMNA (0.47) ERN1TLR2TLR1TLR6CYP3A4
SCHEMBL4435395 0.71 LMNA (0.41) ERN1TLR2TLR1TLR6CYP3A4
SCHEMBL16494533 0.71 ALDH1A1 (0.43) ERN1TLR2TLR1TLR6LMNA
SCHEMBL4438653 0.70 ERN1 (0.50) ERN1TLR2TLR1TLR6MTNR1A

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.