SCHEMBL331041

SCHEMBL331041

CCOP(=O)(Cc1ccccc1N)OCC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KCNH2 Q12809 1/20 0.40
EGFR P00533 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.38
ACHE P22303 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
NR1I2 O75469 1/20 0.37
HDAC1 Q13547 1/20 0.36

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
SCHEMBL702504 0.87 NPSR1 (0.47) NPSR1KCNH2EGFRTSHRPOLB
SCHEMBL27848862 0.86 EGFR (0.37) NPSR1ALDH1A1KCNH2EGFRTSHR
SCHEMBL4030761 0.84 FDPS (0.47) FDPSNPSR1ALDH1A1KCNH2TSHR
SCHEMBL4030757 0.81 FDPS (0.43) FDPSALDH1A1TSHRHSD17B10POLB
SCHEMBL12212067 0.80 NPSR1 (0.42) NPSR1ALDH1A1KCNH2EGFRTSHR
SCHEMBL916350 0.80 CCNT1 (0.43) NPSR1ALDH1A1KCNH2EGFRTSHR
SCHEMBL9588214 0.79 CA1 (0.38) NPSR1ALDH1A1EGFRTSHRHSD17B10
SCHEMBL2008228 0.79 NPSR1 (0.41) NPSR1KCNH2EGFRTSHRPOLB
SCHEMBL901666 0.79 HSD17B10 (0.41) NPSR1ALDH1A1KCNH2EGFRTSHR
SCHEMBL339745 0.79 TSHR (0.54) NPSR1KCNH2EGFRTSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61036289-A None JP disclosed
US-10103401-B2 Polymer electrolyte composition and polymer electrolyte membrane, polymer electrolyte membrane with catalyst layer, membrane electrode assembly, and polymer electrolyte fuel cell each using the same TORAY INDUSTRIES, INC. (JP) 2018-10-16 US disclosed
EP-3131145-B1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE-ELECTROLYTE ASSEMBLY, AND SOLID POLYMER FUEL CELL USING SAME TORAY INDUSTRIES (JP) 2018-09-05 EP disclosed
US-20170125832-A1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, POLYMER ELECTROLYTE MEMBRANE WITH CATALYST LAYER, MEMBRANE ELECTRODE ASSEMBLY, AND POLYMER ELECTROLYTE FUEL CELL EACH USING THE SAME TORAY INDUSTRIES, INC. (JP) 2017-05-04 US disclosed
EP-3131145-A1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE-ELECTROLYTE ASSEMBLY, AND SOLID POLYMER FUEL CELL USING SAME Toray Industries, Inc. (JP) 2017-02-15 EP disclosed
US-9550861-B2 Method for producing polyaniline having self-doping function and antistatic agent containing polyaniline produced thereby OSAKA UNIVERSITY (JP) 2017-01-24 US disclosed
US-20160046767-A1 METHOD FOR PRODUCING POLYANILINE HAVING SELF-DOPING FUNCTION AND ANTISTATIC AGENT CONTAINING POLYANILINE PRODUCED THEREBY DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2016-02-18 US disclosed
CN-102336784-B Electrochromic material and electrochromic device including the same SAMSUNG ELECTRONICS CO LTD 2015-07-08 CN disclosed
EP-2019834-B1 ECTONUCLEOTIDASE INHIBITORS UNIV BONN (DE) 2014-07-09 EP disclosed
EP-2057173-B1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2014-02-26 EP disclosed
US-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-10-02 US disclosed
WO-2008022771-A1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2008-02-28 WO disclosed
WO-2007135195-A1 ECTONUCLEOTIDASE INHIBITORS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2007-11-29 WO disclosed
EP-1860113-A1 Ectonucleotidase inhibitors Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2007-11-28 EP disclosed
EP-0769015-B1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-03-14 EP disclosed
US-5716944-A USEFUL AS PROPHYLACTIC AND THERAPEUTIC AGENTS OF VARIOUS METABOLIC BONE DISEASES SUCH AS OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
CN-1151744-A Phosphonic acid compounds, their prodn. and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-06-11 CN disclosed
EP-0769015-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-23 EP disclosed
WO-1996001267-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-18 WO disclosed
JP-S6136289-A TRIFLUOROMETHANESULFONANILIDE DERIVATIVE, ITS PREPARATION AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT IDEMITSU KOSAN CO LTD 1986-02-20 JP 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-20080242685-A1 Chemical Compounds NFKBIA, IKBKG, NFKB2 FDPS 2713/4885NPSR1 3185/4885ALDH1A1 1519/4885

“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.