SCHEMBL4763785

SCHEMBL4763785

BrCCC/C=C/c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
IDO1 P14902 2/20 0.45
PAM P19021 1/20 0.45
HTR2A P28223 3/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
TBXAS1 P24557 1/20 0.39

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
SCHEMBL1507284 1.00 SIGMAR1 (0.46) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL1507325 0.94 SIGMAR1 (0.44) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL7026121 0.92 SIGMAR1 (0.43) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL7031324 0.92 SIGMAR1 (0.43) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL7613933 0.92 SIGMAR1 (0.43) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL7613927 0.92 SIGMAR1 (0.43) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL3320625 0.92 SIGMAR1 (0.43) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL11503226 0.92 SIGMAR1 (0.43) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL3031009 0.92 SIGMAR1 (0.43) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL11503225 0.92 SIGMAR1 (0.43) SIGMAR1IDO1PAMHTR2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220219155-A1 Compositions And Methods For Visible-Light-Controlled Ruthenium-Catalyzed Olefin Metathesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2022-07-14 US disclosed
US-11331656-B2 Compositions and methods for visible-light-controlled ruthenium-catalyzed olefin metathesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-05-17 US disclosed
EP-2794617-B1 PROCESS FOR THE PREPARATION OF BENZODITHIOPHENE COMPOUNDS ENI SPA (IT) 2016-03-09 EP disclosed
EP-2738175-B1 Process for the preparation of benzodithiophene compounds ENI SPA (IT) 2015-10-14 EP disclosed
US-8981118-B2 Process for the preparation of benzodithiophene compounds ENI S.P.A. (IT) 2015-03-17 US disclosed
US-20140364628-A1 PROCESS FOR THE PREPARATION OF BENZODITHIOPHENE COMPOUNDS ENI S.P.A. (IT) 2014-12-11 US disclosed
US-8853425-B2 Process for the preparation of benzodithiophene compounds ENI S.P.A. (IT) 2014-10-07 US disclosed
EP-2769981-A1 Improved process for the preparation of benzodithiophene compounds ENI S.p.A. (IT) 2014-08-27 EP disclosed
US-20140235874-A1 PROCESS FOR THE PREPARATION OF BENZODITHIOPHENE COMPOUNDS ENI S.P.A (IT) 2014-08-21 US disclosed
US-20140155631-A1 PROCESS FOR THE PREPARATION OF BENZODITHIOPHENE COMPOUNDS ENI S.P.A. (IT) 2014-06-05 US disclosed
EP-1400513-B1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND KOWA CO (JP) 2008-01-09 EP disclosed
EP-1400513-B1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND KOWA CO (JP) 2008-01-09 EP disclosed
CN-1520402-A Unsymmetrical cyclic diamine compound ������������ʽ���� 2004-08-11 CN disclosed
EP-1400513-A1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6552188-B2 Inhibit cell adhesion and cell infiltration; useful treating asthma, allergies, rheumatic diseases, arteriosclerosis, and inflammation; 2-(3,4,5-trimethoxyphenyl),4-((4-substituted piperazin-1-yl)methyl)pyridine compounds KOWA CO., LTD. (JP) 2003-04-22 US disclosed
US-20030022887-A1 Unsymmetrical cyclic diamine compound KOWA CO., LTD. (JP) 2003-01-30 US disclosed
US-4933367-A Carboxylic acid derivatives, processes for the preparation thereof, the use thereof, and pharmaceutical compositions which contain these compounds BOEHRINGER MANNHEIM GMBH (DE) 1990-06-12 US disclosed
EP-0226636-B1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURING PROCESS, USE AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1989-02-08 EP disclosed
EP-0226636-A1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURING PROCESS, USE AND MEDICINES CONTAINING THESE COMPOUNDS. BOEHRINGER MANNHEIM GMBH (DE) 1987-07-01 EP disclosed
WO-1987000521-A2 NEW CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURING PROCESS, USE AND MEDICINES CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1987-01-29 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-20140155631-A1 PROCESS FOR THE PREPARATION OF BENZODITHIOPHENE COMPOUNDS DDC, DDT, AOC1 SIGMAR1 2372/4885IDO1 1616/4885PAM 2364/4885
US-11331656-B2 Compositions and methods for visible-light-controlled ruthenium-catalyzed olefin metathesis PPOX, CYBA, CYBB SIGMAR1 3642/4885IDO1 374/4885PAM 949/4885
US-20030022887-A1 Unsymmetrical cyclic diamine compound H1-0, DDAH1, AOC1 SIGMAR1 152/4885IDO1 2474/4885PAM 519/4885
US-20140364628-A1 PROCESS FOR THE PREPARATION OF BENZODITHIOPHENE COMPOUNDS DDC, DLST, HLCS SIGMAR1 3991/4885IDO1 2908/4885PAM 1218/4885
US-20220219155-A1 Compositions And Methods For Visible-Light-Controlled Ruthenium-Catalyzed Olefin Metathesis PPOX, CYBA, CYBB SIGMAR1 3642/4885IDO1 374/4885PAM 949/4885

“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.