SCHEMBL496484

SCHEMBL496484

COc1cccc(-c2ccccc2C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
GAA P10253 2/20 0.62
RAB9A P51151 1/20 0.58
PRKAB2 O43741 1/20 0.55
PRKAG1 P54619 1/20 0.55
PRKAA2 P54646 1/20 0.55
PRKAA1 Q13131 1/20 0.55
PRKAG3 Q9UGI9 1/20 0.55
PRKAG2 Q9UGJ0 1/20 0.55
PRKAB1 Q9Y478 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 1/20 0.54
GPR35 Q9HC97 3/20 0.54
MCL1 Q07820 1/20 0.54
BAD Q92934 1/20 0.54
DHODH Q02127 2/20 0.52
POLB P06746 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C8 P10632 1/20 0.51

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
SCHEMBL8887143 0.89 GAA (0.59) KDM4EGAALMNAPOLBALDH1A1
SCHEMBL6206680 0.88 GPR35 (0.55) KDM4EGAARAB9APRKAB2PRKAG1
SCHEMBL5085746 0.88 HNF4A (0.63) KDM4EGAARAB9APRKAB2PRKAG1
SCHEMBL1515816 0.87 GAA (0.62) KDM4EGAARAB9ALMNAPOLB
SCHEMBL8202718 0.87 PRKAB2 (0.55) KDM4EPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL18377850 0.86 AKR1C3 (0.55) KDM4EGAARAB9APRKAB2PRKAG1
SCHEMBL7894667 0.86 GAA (0.57) KDM4EGAAPRKAB2PRKAG1PRKAA2
SCHEMBL30285198 0.86 SLC6A3 (0.66) KDM4EGAASMN1; SMN2LMNAPOLB
SCHEMBL4709256 0.86 BCAT2 (0.59) KDM4EGAARAB9ASMN1; SMN2LMNA
SCHEMBL22261532 0.85 RAB9A (0.48) KDM4EGAARAB9APRKAB2PRKAG1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236964-B2 Thiazolidine derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US disclosed
US-8106215-B2 3-aza-bicyclo[3.3.0]octane compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-31 US disclosed
EP-2164847-B1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-14 EP disclosed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
EP-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP disclosed
US-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-22 US disclosed
US-20100113531-A1 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-05-06 US disclosed
EP-2164847-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-03-24 EP disclosed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 WO disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US disclosed
US-20020040060-A1 Biphenyl derivatives BOS MICHAEL (CA) 2002-04-04 US disclosed
US-6358985-B1 ANTICANCER AGENT MERCK & CO., INC. 2002-03-19 US disclosed
EP-1171419-A1 BIPHENYL DERIVATIVES AS ANTAGONISTS OF THE NEUROKININE-1 RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-01-16 EP disclosed
EP-1091736-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP disclosed
US-6291465-B1 Biphenyl derivatives HOFFMANN-LA ROCHE INC. 2001-09-18 US disclosed
EP-1091736-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-18 EP disclosed
WO-2000053572-A1 BIPHENYL DERIVATIVES AS ANTAGONISTS OF THE NEUROKININE-1 RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2000-09-14 WO disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 EP disclosed
WO-2000001382-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 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 (5 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR KDM4E 3641/4885GAA 2500/4885RAB9A 3080/4885
US-20100113531-A1 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R KDM4E 3188/4885GAA 3348/4885RAB9A 3243/4885
US-20020040060-A1 Biphenyl derivatives NR1H4, NR1H2, NR1H3 KDM4E 2033/4885GAA 2663/4885RAB9A 2043/4885
US-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS HCRTR2, HCRTR1, OXTR KDM4E 711/4885GAA 4036/4885RAB9A 2630/4885
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 KDM4E 735/4885GAA 3717/4885RAB9A 2176/4885

“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.