SCHEMBL692304

SCHEMBL692304

OB(O)CC=Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
PAM P19021 1/20 0.52
MAOB P27338 2/20 0.47
IDO1 P14902 2/20 0.47
HTR2A P28223 3/20 0.44
HDAC3 O15379 1/20 0.41
TNKS O95271 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
PLIN1 O60240 1/20 0.41

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
SCHEMBL692303 1.00 CA1 (0.52) CA1PAMMAOBIDO1HTR2A
SCHEMBL4392557 0.77 HTR2A (0.48) CA1PAMMAOBIDO1HTR2A
SCHEMBL9777486 0.75 IDO1 (0.58) PAMMAOBIDO1HTR2AALDH1A1
SCHEMBL4863423 0.75 IDO1 (0.58) PAMMAOBIDO1HTR2AALDH1A1
SCHEMBL526124 0.74 PAM (0.54) CA1PAMMAOBIDO1HTR2A
Cinnamic Alcohol SCHEMBL4175503 0.73 PAM (0.58) CA1PAMMAOBIDO1HTR2A
SCHEMBL1825137 0.73 IDO1 (0.52) PAMMAOBIDO1HTR2A
Cinnamic Alcohol SCHEMBL39220 0.73 PAM (0.58) CA1PAMMAOBIDO1HTR2A
Cinnamic Alcohol SCHEMBL39219 0.73 PAM (0.58) CA1PAMMAOBIDO1HTR2A
Cinnamic Alcohol SCHEMBL28583889 0.73 PAM (0.58) CA1PAMMAOBIDO1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-05-10 US disclosed
US-9701679-B2 Modulators of 5-HT receptors and methods of use thereof Abb Vie Deutschland GmbH & Co. KG (DE) 2017-07-11 US disclosed
EP-3150607-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2017-04-05 EP disclosed
EP-2560973-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-11-16 EP disclosed
EP-2421870-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-03-09 EP disclosed
EP-2522671-B1 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC (US) 2016-01-20 EP disclosed
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-25 US disclosed
US-8846663-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20130310368-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2013-11-21 US disclosed
US-8546377-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2013-10-01 US disclosed
US-7122699-B2 Process for preparing organic boronic acid derivatives using diboronic acid BORON MOLECULAR LIMITED (AU) 2006-10-17 US disclosed
EP-1019414-B1 PROCESS FOR PREPARING ORGANIC BORONIC ACID DERIVATIVES USING DIBORONIC ACID COMMW SCIENT IND RES ORG (AU) 2005-06-08 EP disclosed
US-20030220520-A1 Process for preparing organic boronic acid derivatives using diboronic acid COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2003-11-27 US disclosed
US-6603004-B2 Reacting diboron tetrahydroxide with boronic acid derivatives in presence of group 8-11 metal catalyst; one pot; no need for hydrolysis or hydrogenolysis COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2003-08-05 US disclosed
US-20020151743-A1 Process for preparing organic boronic avid derivatives using diboronic acid COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2002-10-17 US disclosed
US-6448433-B1 REACTING AN ORGANIC HALIDE WITH TETRAHYDROXYDIBORON; GROUP 8-11 METAL CATALYST COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 2002-09-10 US disclosed
EP-1019414-A4 PROCESS FOR PREPARING ORGANIC BORONIC ACID DERIVATIVES USING DIBORONIC ACID COMMW SCIENT IND RES ORG (AU) 2002-05-29 EP disclosed
CN-1275984-A Process for preparing organic boronic acid derivatives using diboronic acid COMMW SCIENT IND RES ORG (AU) 2000-12-06 CN disclosed
EP-1019414-A1 PROCESS FOR PREPARING ORGANIC BORONIC ACID DERIVATIVES USING DIBORONIC ACID COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-07-19 EP disclosed
WO-1999012940-A1 PROCESS FOR PREPARING ORGANIC BORONIC ACID DERIVATIVES USING DIBORONIC ACID COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1999-03-18 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-20030220520-A1 Process for preparing organic boronic acid derivatives using diboronic acid BTD, BRAP, DBF4 CA1 851/4885PAM 1550/4885MAOB 48/4885
US-20130310368-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D CA1 2697/4885PAM 1392/4885MAOB 194/4885
US-20020151743-A1 Process for preparing organic boronic avid derivatives using diboronic acid BTD, BRAP, BCL6B CA1 1108/4885PAM 781/4885MAOB 193/4885
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D CA1 2697/4885PAM 1392/4885MAOB 194/4885
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D CA1 2697/4885PAM 1392/4885MAOB 194/4885

“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.