SCHEMBL171857

SCHEMBL171857

COc1ccc(COc2ccc(C)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.69
MAOB P27338 3/20 0.68
ACHE P22303 1/20 0.62
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
POLB P06746 1/20 0.61
PARP10 Q53GL7 1/20 0.59
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
FFAR1 O14842 1/20 0.57
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56

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
SCHEMBL18475585 1.00 APP (0.69) APPMAOBACHENPC1RAB9A
SCHEMBL8930213 0.91 MAOB (0.69) APPMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL8929713 0.91 MAOB (0.69) APPMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL891195 0.91 MAOB (0.69) APPMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL762195 0.91 MAOB (0.69) APPMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL20000873 0.91 APP (0.80) APPMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL13621670 0.89 APP (0.57) APPMAOBACHENPC1RAB9A
SCHEMBL13703247 0.89 APP (0.57) APPMAOBACHENPC1RAB9A
SCHEMBL8279908 0.88 MAOB (0.61) APPMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL24701846 0.85 MAOB (0.62) APPMAOBNPC1RAB9ASMN1; SMN2

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
EP-4166586-A1 ARYL-ETHER-FREE POLYAROMATIC POLYMERS WITH BRANCHED STRUCTURES FOR ANION EXCHANGE MEMBRANES Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2023-04-19 EP disclosed
WO-2022149618-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP 中外製薬株式会社 2022-07-14 WO disclosed
US-20180028536-A1 INHIBITORY EFFECT OF LOW MOLECULAR WEIGHT COMPOUND ON CANCER AND FIBROSIS KANONCURE, INC. (JP) 2018-02-01 US disclosed
US-9266834-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2016-02-23 US disclosed
US-9266834-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2016-02-23 US disclosed
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors JANSSEN PHARMACEUTICALS INC (US) 2014-10-23 US disclosed
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors JANSSEN PHARMACEUTICALS INC (US) 2014-10-23 US disclosed
US-8841323-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2014-09-23 US disclosed
US-8841323-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2014-09-23 US disclosed
EP-2426125-A1 1,4 disubstituted 3 cyano pyridone derivatives and their use as positive allosteric modulators of mGluR2 receptors Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
US-7959990-B2 Adjustment of liquid crystals; oligomers, dendrimers, or polymer in solution is applied to support; crosslinking by radiation or polarized light ROLIC AG (CH) 2011-06-14 US disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
US-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof TEIJIN PHARMA LIMITED (JP) 2009-02-26 US disclosed
US-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof TEIJIN PHARMA LIMITED (JP) 2009-02-26 US disclosed
US-7494537-B2 Thermochromic coloring color-memory composition and thermochromic coloring color-memory microcapsule pigment containing the same THE PILOT INK CO., LTD. (JP) 2009-02-24 US disclosed
US-7494537-B2 Thermochromic coloring color-memory composition and thermochromic coloring color-memory microcapsule pigment containing the same THE PILOT INK CO., LTD. (JP) 2009-02-24 US disclosed
US-20080274304-A1 Functionalized Photoreactive Compounds ROLIC AG (CH) 2008-11-06 US disclosed
EP-1864986-A1 PYRAZOLOPYRIMIDINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2007-12-12 EP disclosed
WO-2007104783-A2 1,4 -DI SUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPT0R MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2007-09-20 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 (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-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 APP 2712/4885MAOB 4400/4885ACHE 4471/4885
US-20080274304-A1 Functionalized Photoreactive Compounds PCNA, PIN1, MAP1LC3C APP 2959/4885MAOB 819/4885ACHE 4372/4885
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors GRM2, GRM1, GRM3 APP 1437/4885MAOB 1409/4885ACHE 1228/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 APP 1411/4885MAOB 1392/4885ACHE 1205/4885
US-20180028536-A1 INHIBITORY EFFECT OF LOW MOLECULAR WEIGHT COMPOUND ON CANCER AND FIBROSIS MMP1, SERPINB1, LGALS1 APP 4865/4885MAOB 4695/4885ACHE 4860/4885

“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.