SCHEMBL5360710

SCHEMBL5360710

CCOC(=O)COc1cc(Cl)cc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
HPGD P15428 3/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
MCL1 Q07820 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
TP53 P04637 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
SCHEMBL2413959 0.87 LMNA (0.43) GAANPSR1KDM4EHSD17B10L3MBTL1
SCHEMBL15778741 0.85 GAA (0.47) GAANPSR1KDM4EHSD17B10L3MBTL1
SCHEMBL6463823 0.83 PPARA (0.59) GAANPSR1KDM4EHSD17B10PPARG
SCHEMBL6252442 0.83 ALDH1A1 (0.62) L3MBTL1PPARGPPARACYP1A2CYP3A4
SCHEMBL7782051 0.83 GAA (0.55) GAANPSR1KDM4EHSD17B10PPARG
SCHEMBL16571565 0.82 GAA (0.48) GAANPSR1KDM4EHSD17B10ALDH1A1
SCHEMBL5207122 0.82 GAA (0.66) GAANPSR1KDM4EHSD17B10PPARA
SCHEMBL5361832 0.81 GAA (0.56) GAANPSR1KDM4EHSD17B10PPARG
SCHEMBL23003702 0.81 GAA (0.49) GAANPSR1KDM4EHSD17B10PPARG
SCHEMBL23003777 0.80 GAA (0.48) GAANPSR1KDM4EHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238685-B2 Benzo-fused heterocycles as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-03 US disclosed
US-20050124605-A1 Novel benzo-fused heterocycles as endothelin antagonisits ACTELION PHARMACEUTICALS LTD. 2005-06-09 US disclosed
WO-2003013545-A1 NOVEL BENZO-FUSED HETEROCYCLES AS ENDOTHELIN ANTAGONISITS ACTELION PHARMACEUTICALS LTD (CH) 2003-02-20 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 (1 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-20050124605-A1 Novel benzo-fused heterocycles as endothelin antagonisits EDNRA, EDNRB, ECE1 GAA 2736/4885NPSR1 30/4885KDM4E 887/4885

“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.