SCHEMBL3435489

SCHEMBL3435489

O=C(CCCc1ccccc1)NCc1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.84
GAA P10253 1/20 0.82
LMNA P02545 1/20 0.82
MEN1 O00255 1/20 0.79
KMT2A Q03164 1/20 0.79
HDAC3 O15379 2/20 0.75
HDAC1 Q13547 2/20 0.75
HDAC2 Q92769 2/20 0.75
HDAC8 Q9BY41 2/20 0.75
HDAC6 Q9UBN7 2/20 0.75
HDAC5 Q9UQL6 2/20 0.75
HDAC4 P56524 1/20 0.75
HDAC7 Q8WUI4 1/20 0.75
HDAC10 Q969S8 1/20 0.75
HDAC11 Q96DB2 1/20 0.75
HDAC9 Q9UKV0 1/20 0.75
ALDH1A1 P00352 1/20 0.75
EPHX2 P34913 1/20 0.68

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
SCHEMBL9080237 0.95 MEN1 (0.83) TRPV1GAALMNAMEN1KMT2A
SCHEMBL7763386 0.93 MEN1 (0.86) TRPV1GAALMNAMEN1KMT2A
SCHEMBL26393850 0.92 TRPV1 (1.00) TRPV1GAALMNAMEN1KMT2A
SCHEMBL8699067 0.92 TRPV1 (0.78) TRPV1GAALMNAMEN1KMT2A
SCHEMBL9787349 0.91 HDAC1 (0.77) TRPV1GAALMNAMEN1KMT2A
SCHEMBL2942358 0.90 MEN1 (0.96) TRPV1GAALMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL6966911 0.89 TRPV1 (0.74) TRPV1GAALMNAMEN1KMT2A
SCHEMBL1661081 0.89 TRPV1 (0.76) TRPV1GAALMNAMEN1KMT2A
SCHEMBL8697144 0.87 TRPV1 (0.71) TRPV1GAALMNAMEN1KMT2A
SCHEMBL31329317 0.87 ALDH1A1 (1.00) TRPV1GAALMNAKMT2AHDAC3

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284270-B2 Boronic acid catalysts and methods of use thereof for activation and transformation of carboxylic acids THE GOVERNERS OF THE UNIVERSITY OF ALBERTA (CA) 2016-03-15 US disclosed
US-20140142322-A1 Boronic Acid Catalysts and Methods of Use Thereof for Activation and Transformation of Carboxylic Acids GREENCENTRE CANADA (CA) 2014-05-22 US disclosed
US-20140142322-A1 Boronic Acid Catalysts and Methods of Use Thereof for Activation and Transformation of Carboxylic Acids GREENCENTRE CANADA (CA) 2014-05-22 US disclosed
EP-2684468-A1 SALTY TASTE ENHANCER Ajinomoto Co., Inc. (JP) 2014-01-15 EP disclosed
US-20140004243-A1 SALTY TASTE ENHANCER AJINOMOTO CO., INC. (JP) 2014-01-02 US disclosed
EP-2675816-A1 BORONIC ACID CATALYSTS AND METHODS OF USE THEREOF FOR ACTIVATION AND TRANSFORMATION OF CARBOXYLIC ACIDS The Governors of the University of Alberta (CA) 2013-12-25 EP disclosed
WO-2012109749-A1 BORONIC ACID CATALYSTS AND METHODS OF USE THEREOF FOR ACTIVATION AND TRANSFORMATION OF CARBOXYLIC ACIDS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2012-08-23 WO disclosed
EP-1846347-B1 METHOD FOR THE USE OF [11C] CARBON MONOXIDE IN LABELING SYNTHESIS OF 11C-LABELLED COMPOUNDS BY THERMALLY INDUCED FREE RADICAL CARBONYLATION GE HEALTHCARE LTD (GB) 2012-05-30 EP disclosed
EP-1867630-B1 PROCESS FOR PRODUCING TRICARBOXYLIC ACID TRIS(ALKYL-SUBSTITUTED CYCLOHEXYLAMIDE) NEW JAPAN CHEM CO LTD (JP) 2010-10-20 EP disclosed
WO-2004113351-A2 BIFUNCTIONAL AMINO-BORON LEWIS ACID - LEWIS BASE CATALYST UNIVERSITY OF DURHAM (GB) 2004-12-29 WO disclosed
US-6117893-A Heterocyclic compounds having anti-diabetic activity and their use SANKYO COMPANY, LIMITED (JP) 2000-09-12 US disclosed
US-5977365-A HYPOGLYCEMIC AGENTS SANKYO COMPANY, LIMITED (JP) 1999-11-02 US disclosed
US-5962470-A Heterocyclic compounds having anti-diabetic activity and their use SANKYO COMPANY, LIMITED (JP) 1999-10-05 US disclosed
US-5886014-A TREATMENT AND/OR PROPHYLAXIS OF A VARIETY OF DISORDERS, INCLUDING HYPERLIPEMIA, HYPERGLYCEMIA, OBESITY, IMPAIRED GLUCOSE TOLERANCE (IGT), INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1999-03-23 US disclosed
US-5834501-A TREATING DIABETES OR HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1998-11-10 US disclosed
US-5739345-A HYPOGLYCEMIC AND ANTIDIABETIC AGENTS SANKYO COMPANY, LIMITED (JP) 1998-04-14 US disclosed
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 US disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 EP 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 (1 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-20140142322-A1 Boronic Acid Catalysts and Methods of Use Thereof for Activation and Transformation of Carboxylic Acids BCAT1, ME1, BCAT2 TRPV1 4862/4885GAA 184/4885LMNA 3215/4885

“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.