SCHEMBL406058

SCHEMBL406058

CCOC(=O)Cc1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.58
CTBP2 P56545 1/20 0.51
MAPT P10636 4/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
KMT2A Q03164 3/20 0.50
EPHX2 P34913 1/20 0.50
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
LMNA P02545 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ALOX5 P09917 1/20 0.48
PIK3CA P42336 1/20 0.48

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
SCHEMBL14440580 0.88 MAOB (0.52) MAOBMAPTMAPK1SMN1; SMN2KMT2A
SCHEMBL4325061 0.88 EPHX2 (0.52) MAOBCTBP2MAPTMAPK1SMN1; SMN2
SCHEMBL68412 0.88 L3MBTL1 (0.50) MAOBMAPTMAPK1SMN1; SMN2KMT2A
SCHEMBL2399939 0.87 EPHX2 (0.57) MAOBCTBP2MAPTMAPK1KMT2A
SCHEMBL5792784 0.84 MAPT (0.49) MAOBCTBP2MAPTMAPK1SMN1; SMN2
SCHEMBL901671 0.84 CYP4F2 (0.55) MAPTMAPK1SMN1; SMN2KMT2AEPHX2
SCHEMBL29129887 0.84 MAPT (0.73) MAOBMAPTSMN1; SMN2KMT2ALMNA
SCHEMBL8150062 0.83 L3MBTL1 (0.45) MAOBMAPTMAPK1SMN1; SMN2KMT2A
SCHEMBL1515865 0.83 L3MBTL1 (0.49) MAPK1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL1107143 0.83 KMT2A (0.56) MAOBCTBP2MAPK1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2019-07-30 US disclosed
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-07-05 US disclosed
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-07-05 US disclosed
US-8921591-B2 Process for synthesizing phenylacetic acid by carbonylation of toluene LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2014-12-30 US disclosed
US-8921591-B2 Process for synthesizing phenylacetic acid by carbonylation of toluene LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2014-12-30 US disclosed
US-8921591-B2 Process for synthesizing phenylacetic acid by carbonylation of toluene LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2014-12-30 US disclosed
EP-2280970-B1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-20130303798-A1 PROCESS FOR SYNTHESIZING PHENYLACETIC ACID BY CARBONYLATION OF TOLUENE LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2013-11-14 US disclosed
US-20130303798-A1 PROCESS FOR SYNTHESIZING PHENYLACETIC ACID BY CARBONYLATION OF TOLUENE LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2013-11-14 US disclosed
US-20130303798-A1 PROCESS FOR SYNTHESIZING PHENYLACETIC ACID BY CARBONYLATION OF TOLUENE LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2013-11-14 US disclosed
US-20010039344-A1 Heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. 2001-11-08 US disclosed
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 WO disclosed
US-5861412-A CARDIOPROTECTIVE AGENTS, CEREBROPROTECTIVE AGENTS, AGENTS FOR TREATING CHRONIC INFLAMMATORY PROCESSES, ANTIPROLIFERATIVE AGENTS AND AS AGENTS FOR TREATING ULCERATIVE COLITIS AND CROHN'S DISEASE BOEHRINGER INGELHEIM KG (DE) 1999-01-19 US disclosed
US-5674878-A ANTIPROLIFERATIVE,-TUMOR AND -CARCINOGENIC AGENTS; ULCERATIVE COLITIS; CROHN*S DISEASE BOEHRINGER INGELHEIM KG (DE) 1997-10-07 US disclosed
US-5643919-A TREATMENT OF CROHN*S DISEASE, ULCERATIVE COLITIS BOEHRINGER INGELHEIM KG (DE) 1997-07-01 US disclosed
US-4435419-A Method of treating depression using azabicyclohexanes AMERICAN CYANAMID COMPANY (US) 1984-03-06 US disclosed
US-4279918-A ANTIDEPRESSANTS, STIMULANTS BYK GULDEN LOMBERG CHEMISCHE FABRIK G.M.B.H. (DE) 1981-07-21 US disclosed
US-4231935-A ANXIOLYTICS AND ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-11-04 US disclosed
US-4196120-A 1,2-BIS(HYDROCARBYLSULFONYLOXY OR HALO METHYL)CYCLOPROPYLBENZENE, OPTICAL ACITIVITY ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-04-01 US disclosed
US-4131611-A ANXIOLYTIC, ANALGESIC AMERICAN CYANAMID COMPANY (US) 1978-12-26 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 (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-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis SOD1, AOC3, CBR3 MAOB 171/4885CTBP2 559/4885MAPT 3964/4885
US-20130303798-A1 PROCESS FOR SYNTHESIZING PHENYLACETIC ACID BY CARBONYLATION OF TOLUENE DDT, HPD, PAH MAOB 45/4885CTBP2 3888/4885MAPT 1619/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK MAOB 3663/4885CTBP2 1111/4885MAPT 4402/4885
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS SOD1, AOC3, CBR3 MAOB 171/4885CTBP2 559/4885MAPT 3964/4885

“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.