SCHEMBL4439307

SCHEMBL4439307

CC(C)=CCSc1c(Cl)cc(Cl)cc1C=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.45
TDP1 Q9NUW8 1/20 0.36
TERT O14746 1/20 0.35
ORAI1 Q96D31 1/20 0.33
METAP2 P50579 1/20 0.33
PTPN1 P18031 1/20 0.31

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
SCHEMBL4556339 0.83 ERN1 (0.52) ERN1TDP1METAP2
SCHEMBL13538293 0.76 ERN1 (0.44) ERN1TDP1TERTORAI1PTPN1
SCHEMBL4439388 0.73 ERN1 (0.45) ERN1
SCHEMBL4442689 0.70 ORAI1 (0.46) ERN1TDP1ORAI1
SCHEMBL4435395 0.69 LMNA (0.41) ERN1TDP1METAP2
SCHEMBL4447447 0.69 TSHR (0.44) ERN1TDP1METAP2
SCHEMBL4441561 0.69 ERN1 (0.52) ERN1TDP1METAP2
SCHEMBL4442723 0.68 ERN1 (0.50) ERN1TDP1
SCHEMBL21676872 0.68 ERN1 (0.46) ERN1TDP1TERTPTPN1
SCHEMBL4439793 0.66 LMNA (0.47) ERN1TDP1METAP2

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 2078/4885TDP1 2092/4885TERT 3034/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP ERN1 2078/4885TDP1 2092/4885TERT 3034/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP ERN1 2078/4885TDP1 2092/4885TERT 3034/4885

“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.