SCHEMBL933577

SCHEMBL933577

COc1ccc(COc2ccc(C(C)=O)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
NPC1 O15118 1/20 0.76
POLB P06746 1/20 0.76
RAB9A P51151 1/20 0.76
MAOA P21397 2/20 0.73
ALDH1A1 P00352 2/20 0.69
HTT P42858 2/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
MAPT P10636 1/20 0.69
FFAR1 O14842 2/20 0.67
PLA2G4B P0C869 1/20 0.66
HRH3 Q9Y5N1 3/20 0.64

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
SCHEMBL11911279 0.91 MAOB (0.64) MAOBSMN1; SMN2NPC1POLBRAB9A
SCHEMBL6959174 0.87 NPC1 (0.73) MAOBSMN1; SMN2NPC1RAB9AMAOA
SCHEMBL1092229 0.86 MAOB (1.00) MAOBSMN1; SMN2MAOAALDH1A1HTT
SCHEMBL1186510 0.86 RAB9A (1.00) SMN1; SMN2NPC1POLBRAB9AALDH1A1
SCHEMBL28335896 0.86 RAB9A (1.00) SMN1; SMN2NPC1POLBRAB9AALDH1A1
SCHEMBL16395775 0.85 MAOB (1.00) MAOBSMN1; SMN2MAOAALDH1A1HTT
SCHEMBL9778577 0.85 MAOB (1.00) MAOBSMN1; SMN2NPC1RAB9AMAOA
SCHEMBL12339549 0.85 PARP10 (0.83) MAOBSMN1; SMN2NPC1POLBRAB9A
SCHEMBL2087139 0.85 MAOB (1.00) MAOBSMN1; SMN2MAOAALDH1A1HTT
SCHEMBL3729907 0.85 NPC1 (0.75) SMN1; SMN2NPC1POLBRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3218425-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2017-09-20 EP disclosed
WO-2016077513-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2016-05-19 WO disclosed
US-20120128630-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2012-05-24 US disclosed
EP-2451800-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE Vivalis (FR) 2012-05-16 EP disclosed
WO-2011075353-A1 COMPOSITION COMPRISING MICROCAPSULES THE PROCTER & GAMBLE COMPANY (US) 2011-06-23 WO disclosed
WO-2011004017-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2011-01-13 WO disclosed
US-7759370-B2 Sphingosine-1-phosphate (SIP) receptor agonists Praecis Pharmaceuticals (US) 2010-07-20 US disclosed
US-20100016260-A1 AGONISTS OF SPHINGOSINE-1 PHOSPHATE RECEPTOR (SLP) PRAECIS PHARMACEUTICALS INCORPORATED (US) 2010-01-21 US disclosed
US-20100009936-A1 CHEMICAL COMPOUNDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2010-01-14 US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-20080096938-A1 Immunosuppressants for autoimmune diseases such as multiple sclerosis, transplant rejection; sphingosine-1-phosphate (S1P) receptor agonists; (S)-2-Amino-2-(5-(4-(2-(pentyloxy)ethoxy)-3-(trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-yl)propyl dihydrogen phosphate for example PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-04-24 US disclosed
US-20080070866-A1 Chemical compounds PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
EP-0641770-B1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA CO (JP) 1998-05-13 EP disclosed
US-5698692-A INHIBIT BINDING BETWEEN PLATELET MEMBRANE GLYCOPROTEIN AND FIBRINOGEN MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-12-16 US disclosed
US-5594004-A CARDIOVASCULAR DISORDERS AND ANTICOAGULANTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-01-14 US disclosed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed
EP-0288297-B1 OPTICALLY ACTIVE BENZENE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed
US-4985590-A Optically active benzene derivatives and process for preparation thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-15 US disclosed
US-4474809-A HYPOGLYCEMIC AGENTS, ANTIDIABETIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-10-02 US disclosed
EP-0114389-A2 Substituted arylglyoxal derivatives AMERICAN CYANAMID COMPANY (US) 1984-08-01 EP 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 (6 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-20120128630-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE NAT1, POLM, PYGL MAOB 1851/4885SMN1; SMN2 2980/4885NPC1 640/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES MAOB 4618/4885SMN1; SMN2 4186/4885NPC1 2610/4885
US-20100016260-A1 AGONISTS OF SPHINGOSINE-1 PHOSPHATE RECEPTOR (SLP) S1PR1, S1PR2, S1PR5 MAOB 4228/4885SMN1; SMN2 1302/4885NPC1 1388/4885
US-20080096938-A1 Immunosuppressants for autoimmune diseases such as multiple sclerosis, transplant rejection; sphingosine-1-phosphate (S1P) receptor agonists; (S)-2-Amino-2-(5-(4-(2-(pentyloxy)ethoxy)-3-(trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-yl)propyl dihydrogen phosphate for example S1PR1, S1PR2, S1PR5 MAOB 4329/4885SMN1; SMN2 2847/4885NPC1 2006/4885
US-20080070866-A1 Chemical compounds S1PR1, S1PR2, S1PR5 MAOB 3256/4885SMN1; SMN2 4481/4885NPC1 1058/4885
US-20100009936-A1 CHEMICAL COMPOUNDS CD4, ICOS, NFATC1 MAOB 3592/4885SMN1; SMN2 3973/4885NPC1 2708/4885

“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.