SCHEMBL1468060

SCHEMBL1468060

O=Cc1ccc2c(c1)CCC2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HSD17B1 P14061 4/20 0.49
GRM5 P41594 1/20 0.46
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
PRKCI P41743 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PBRM1 Q86U86 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP26A1 O43174 1/20 0.39
MIF P14174 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
SCHEMBL1466018 0.89 MAOA (0.58) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL6659325 0.87 SRD5A1 (0.46) CASP1CASP7HSD17B10MEN1ALDH1A1
SCHEMBL7231960 0.84 PBRM1 (0.55) CASP1CASP7HSD17B10HSD17B1MAOB
SCHEMBL18290555 0.82 CASP1 (0.53) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL1815040 0.82 CASP1 (0.53) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL13691966 0.80 ALDH1A1 (0.41) CASP1CASP7HSD17B10MEN1ALDH1A1
SCHEMBL12745029 0.79 CASP1 (0.50) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL11818515 0.78 SRD5A1 (0.51) MAOBMEN1ALDH1A1GAAMAPT
SCHEMBL1466994 0.78 CASP1 (0.49) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL1466993 0.78 CASP1 (0.49) CASP1CASP7HSD17B10HSD17B1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3153497-A2 PESTICIDAL CARBOXAMIDES Bayer Cropscience AG (DE) 2017-04-12 EP disclosed
US-8153671-B2 Heterotetracyclic compounds as TPO mimetics IRM LLC (BM) 2012-04-10 US disclosed
US-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds BAYER CROPSCIENCE AG 2011-03-24 US disclosed
US-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds BAYER CROPSCIENCE AG 2011-03-24 US disclosed
US-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds BAYER CROPSCIENCE AG 2011-03-24 US disclosed
CN-101970403-A Insecticidal fused ring aryl compounds BAYER CROPSCIENCE AG 2011-02-09 CN disclosed
EP-2254863-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS Bayer CropScience AG (DE) 2010-12-01 EP disclosed
WO-2009112275-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-09-17 WO disclosed
WO-2009112275-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-09-17 WO disclosed
US-20090075996-A1 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2009-03-19 US disclosed
US-7452906-B2 Pyridine derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2008-11-18 US disclosed
US-7297694-B2 Pyridylfurans and pyrroles as Raf kinase inhibitors SMITHKLINE BEECHUM P.L.C. (GB) 2007-11-20 US disclosed
EP-1423384-B1 PYRIDINE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2007-05-23 EP disclosed
US-20040254186-A1 Pyridylfurans and pyrroles as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-12-16 US disclosed
US-20040235843-A1 Pyridine derivatives as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-11-25 US disclosed
EP-1432697-A1 PYRIDYLFURANS AND PYRROLES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2004-06-30 EP disclosed
EP-1423384-A1 PYRIDINE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2004-06-02 EP disclosed
WO-2003022833-A1 PYRIDYLFURANS AND PYRROLES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2003-03-20 WO disclosed
WO-2003022840-A1 PYRIDINE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2003-03-20 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 (4 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-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds DDT, PRDX4, CYP4X1 CASP1 580/4885CASP7 217/4885HSD17B10 2993/4885
US-20040235843-A1 Pyridine derivatives as raf kinase inhibitors BRAF, RAF1, ARAF CASP1 1487/4885CASP7 2633/4885HSD17B10 3788/4885
US-20090075996-A1 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS MPL, TPO, THPO CASP1 1785/4885CASP7 2344/4885HSD17B10 3821/4885
US-20040254186-A1 Pyridylfurans and pyrroles as raf kinase inhibitors BRAF, ARAF, RAF1 CASP1 1397/4885CASP7 2989/4885HSD17B10 4040/4885

“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.