SCHEMBL1022035

SCHEMBL1022035

Cc1cc(OCc2ccccc2)ccc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.64
NR4A2 P43354 2/20 0.61
NR4A1 P22736 1/20 0.61
NR4A3 Q92570 1/20 0.61
MCL1 Q07820 3/20 0.56
SRD5A2 P31213 2/20 0.56
MRGPRX4 Q96LA9 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
LTB4R Q15722 1/20 0.55
LTB4R2 Q9NPC1 1/20 0.55
P4HTM Q9NXG6 1/20 0.55
SLC16A3 O15427 1/20 0.54
BAK1 Q16611 1/20 0.54
PARP10 Q53GL7 1/20 0.54
PLA2G4B P0C869 1/20 0.54
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
MDH2 P40926 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
Benzene SCHEMBL28056879 1.00 MAOB (0.64) MAOBNR4A2NR4A1NR4A3MCL1
Hydrochloric Acid SCHEMBL9440598 0.98 MAOB (0.62) MAOBNR4A2NR4A1NR4A3MCL1
SCHEMBL588979 0.89 MAOB (0.76) MAOBNR4A2NR4A1NR4A3ALDH1A1
SCHEMBL9440593 0.88 MAOB (0.61) MAOBNR4A2NR4A1NR4A3MCL1
SCHEMBL10974452 0.88 MAOB (0.61) MAOBNR4A2NR4A1NR4A3MCL1
SCHEMBL3740175 0.88 RAB9A (0.66) MAOBMRGPRX4MEN1KMT2APLA2G4B
SCHEMBL2328705 0.88 MAOB (0.60) MAOBNR4A2NR4A1NR4A3MCL1
SCHEMBL14315506 0.87 SRD5A2 (0.60) MAOBNR4A2NR4A1NR4A3SRD5A2
SCHEMBL17958912 0.87 MAOB (0.59) MAOBNR4A2NR4A1NR4A3MRGPRX4
SCHEMBL7881166 0.87 MAOB (0.59) MAOBNR4A2NR4A1NR4A3MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105518014-B C-aryl glucoside derivative, preparation method and application thereof in medicine 上海研健新药研发有限公司 2018-03-23 CN disclosed
CN-107311992-A C aryl glucosides derivative, its preparation method and its in application pharmaceutically 上海研健新药研发有限公司 2017-11-03 CN disclosed
US-8822495-B2 Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-02 US disclosed
US-8501771-B2 Aminoalcohol-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2013-08-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
EP-1987020-B1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2012-10-03 EP disclosed
EP-1987006-B1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI AVENTIS (FR) 2011-01-12 EP disclosed
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-10-22 US disclosed
US-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-26 US disclosed
CN-101384583-A Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI AVENTIS (FR) 2009-03-11 CN disclosed
US-6274735-B1 RENIN INHIBITORS HOFFMANN-LA ROCHE INC. 2001-08-14 US disclosed
US-6248772-B1 HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-06-19 US disclosed
US-6169107-B1 USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS SUMITOMO PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
WO-2000031067-A1 PROPANOIC ACID DERIVATIVES AS INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-06-02 WO disclosed
EP-0979819-A1 Process for the production of substituted 3-hydroxypiperidines F. HOFFMANN-LA ROCHE AG (CH) 2000-02-16 EP disclosed
EP-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed
US-4910206-A Endotoxin induced lung injury SANDOZ PHARMACEUTICALS CORP. (US) 1990-03-20 US disclosed
US-4029594-A Novel liquid crystal compounds and electro-optic devices incorporating them RCA CORPORATION (US) 1977-06-14 US 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 (2 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-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, AHR, MCHR2 MAOB 1131/4885NR4A2 2405/4885NR4A1 2229/4885
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MRGPRX1, MRGPRX4 MAOB 827/4885NR4A2 822/4885NR4A1 837/4885

“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.