SCHEMBL2186807

SCHEMBL2186807

O=Nc1c(O)cc(O)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 1/20 0.40
BACE1 P56817 1/20 0.39
FASN P49327 1/20 0.39
NQO1 P15559 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PTGS1 P23219 1/20 0.36
DRD3 P35462 1/20 0.36
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
ACHE P22303 1/20 0.34
CES2 O00748 1/20 0.33
ALPL P05186 1/20 0.32
POLB P06746 1/20 0.32
ALPI P09923 1/20 0.32

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
SCHEMBL1002470 0.83 TAAR1 (0.35) CYP3A4MEN1KMT2AHPGDBACE1
SCHEMBL3280289 0.78 SELL (0.50) CYP3A4MEN1KMT2ATDP1GAA
SCHEMBL14294447 0.78 CYP3A4 (0.54) CYP3A4HPGDPTGS1GAAPOLB
SCHEMBL22813144 0.74 CA12 (0.58) CYP3A4MEN1KMT2AHPGDTDP1
SCHEMBL1578480 0.72 KMT2A (0.52) CYP3A4MEN1KMT2ABACE1TDP1
SCHEMBL2346534 0.71 HSP90AA1 (0.46) CYP3A4MEN1KMT2AHPGDTDP1
SCHEMBL6369739 0.71 BACE1 (0.39) CYP3A4MEN1KMT2AHPGDBACE1
SCHEMBL3279378 0.67 GRIN2D (0.47) MEN1KMT2ATDP1GAAACHE
SCHEMBL12327634 0.67 CA9 (0.39) HSP90AA1CES2
SCHEMBL18270585 0.67 CA1 (0.39) CYP3A4HPGDPTGS1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998005818-A1 MULTI-COMPONENT SYSTEM FOR MODIFYING, DECOMPOSING, OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND PROCESS FOR ITS APPLICATION Consortium für elektrochemische Industrie GmbH (DE) 1998-02-12 WO claimed
CN-104254560-B Method for producing polymer resin and carbon material 佐治亚-太平洋化工品有限公司 2017-09-22 CN disclosed
US-8030521-B2 Methods of producing 1,3,5-triamino-2,4,6-trinitrobenzene ALLIANT TECHSYSTEMS INC. (US) 2011-10-04 US disclosed
US-20110172463-A1 METHODS OF PRODUCING 1,3,5-TRIAMINO-2,4,6-TRINITROBENZENE ALLIANT TECHSYSTEMS INC. (US) 2011-07-14 US disclosed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-7700196-B2 Method for producing carbonyl group-containing organosilicon compounds WACKER CHEMIE AG (DE) 2010-04-20 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
US-6187170-B1 SYSTEM FOR THE ELECTROCHEMICAL CLEAVAGE OF COMPOUNDS WHICH INCLUDES A MEDIATOR AND AT LEAST TWO ELECTRODES FOR THE ELECTROCHEMICAL ACTIVATION OF THE MEDIATOR Consortium für elektrochemische Industrie GmbH (DE) 2001-02-13 US disclosed
US-6169213-B1 REACTING A HETEROARYL METHANOL WITH AN OXIDANT AND A MEDIATOR CONTAINING AMINO OXIDE GROUP TO FORM HETEROARYL ALDEHYDE OR A HETEROARYL KETONE Consortium f{umlaut over (u)}r elektrochemische Industrie GmbH (DE) 2001-01-02 US disclosed
EP-0913382-B1 Process for the preparation of aldehydes and ketones CONSORTIUM ELEKTROCHEM IND (DE) 2000-11-08 EP disclosed
US-6069282-A REACTION OF VINYL-, ALKYNYL- OR ARYL-METHANOLS WITH THE AID OF A MEDIATOR AND AN OXIDANT, WHEREIN THE MEDIATOR IS SELECTED FROM THE GROUP OF THE ALIPHATIC, CYCLOALIPHATIC, HETEROCYCLIC OR AROMATIC NO OR NOH CONTAINING COMPOUNDS CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2000-05-30 US disclosed
US-6023000-A Process for the preparation of aldehydes and ketones Consortium fur elektrochemisch Industrie GmbH (DE) 2000-02-08 US disclosed
EP-0913382-A1 Process for the preparation of aldehydes and ketones Consortium für elektrochemische Industrie GmbH (DE) 1999-05-06 EP disclosed
EP-0905306-A1 Multicomponent system for modifying, decomposing or bleaching lignin or lignin-containing materials and method of using this system Consortium für elektrochemische Industrie GmbH (DE) 1999-03-31 EP disclosed
EP-0885868-A1 Oxidation-process for the production of aldehydes and ketones in the presence of nitrogen-containing compounds Consortium für elektrochemische Industrie GmbH (DE) 1998-12-23 EP disclosed
EP-0882814-A1 System and process for the electrochemical cleavage of compounds Consortium für elektrochemische Industrie GmbH (DE) 1998-12-09 EP disclosed
WO-1998005818-A1 MULTI-COMPONENT SYSTEM FOR MODIFYING, DECOMPOSING, OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND PROCESS FOR ITS APPLICATION Consortium für elektrochemische Industrie GmbH (DE) 1998-02-12 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 (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-20110172463-A1 METHODS OF PRODUCING 1,3,5-TRIAMINO-2,4,6-TRINITROBENZENE TNK1, TNS4, TDO2 CYP3A4 892/4885MEN1 4836/4885KMT2A 3277/4885

“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.