SCHEMBL455480

SCHEMBL455480

CCCCCCCBr.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
KCNH2 Q12809 1/20 0.40
NAAA Q02083 1/20 0.40
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
DNM1 Q05193 2/20 0.38
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 1/20 0.37
PKM P14618 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
PTGS2 P35354 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
SCHEMBL8709097 1.00 CYP3A4 (0.48) CYP3A4TDP1CES2CES1KCNH2
SCHEMBL9169189 1.00 CYP3A4 (0.48) CYP3A4TDP1CES2CES1KCNH2
SCHEMBL27869350 1.00 CYP3A4 (0.48) CYP3A4TDP1CES2CES1KCNH2
SCHEMBL5565882 1.00 CYP3A4 (0.48) CYP3A4TDP1CES2CES1KCNH2
SCHEMBL7857041 1.00 CYP3A4 (0.48) CYP3A4TDP1CES2CES1KCNH2
SCHEMBL10810735 1.00 CYP3A4 (0.48) CYP3A4TDP1CES2CES1KCNH2
SCHEMBL8165832 1.00 CYP3A4 (0.48) CYP3A4TDP1CES2CES1KCNH2
SCHEMBL2648008 1.00 CYP3A4 (0.48) CYP3A4TDP1CES2CES1KCNH2
SCHEMBL10370405 1.00 CYP3A4 (0.48) CYP3A4TDP1CES2CES1KCNH2
SCHEMBL4067213 0.98 CYP3A4 (0.50) CYP3A4TDP1CES2CES1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116425606-A Process for preparing 3, 7-dimethyl alkane compound 信越化学工业株式会社 2023-07-14 CN disclosed
EP-3275924-B1 TWO-PACK TYPE EPOXY RESIN COMPOSITION FOR FIBER-REINFORCED COMPOSITE MATERIAL, AND FIBER-REINFORCED COMPOSITE MATERIAL TORAY INDUSTRIES (JP) 2021-11-24 EP disclosed
US-10717831-B2 Two-component type epoxy resin composition for fiber-reinforced composite material, and fiber-reinforced composite material TORAY INDUSRIES, INC. (JP) 2020-07-21 US disclosed
US-20180057645-A1 TWO-COMPONENT TYPE EPOXY RESIN COMPOSITION FOR FIBER-REINFORCED COMPOSITE MATERIAL, AND FIBER-REINFORCED COMPOSITE MATERIAL TORAY INDUSTRIES, INC. (JP) 2018-03-01 US disclosed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
EP-3275924-A1 TWO-PACK TYPE EPOXY RESIN COMPOSITION FOR FIBER-REINFORCED COMPOSITE MATERIAL, AND FIBER-REINFORCED COMPOSITE MATERIAL Toray Industries, Inc. (JP) 2018-01-31 EP disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed
US-9040709-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-26 US disclosed
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-25 US disclosed
EP-1501827-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACID AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2005-02-02 EP disclosed
US-20050009838-A1 Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2005-01-13 US disclosed
US-20040077824-A1 (Partially) conjugated polymer process for its preparation and use in electroluminescent devices CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2004-04-22 US disclosed
EP-1370599-A1 (PARTIALLY) CONJUGATED POLYMER, PROCESS FOR ITS PREPARATION AND USE IN ELECTROLUMINESCENT DEVICES Cambridge Display Technology Limited (GB) 2003-12-17 EP disclosed
WO-2003091247-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-11-06 WO disclosed
WO-2002066537-A1 (PARTIALLY) CONJUGATED POLYMER PROCESS FOR ITS PREPARATION AND USE IN ELECTROLUMINESCENT DEVICES CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2002-08-29 WO disclosed
US-6218431-B1 GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES BAYER CORPORATION 2001-04-17 US disclosed
EP-0934274-A1 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS Bayer Corporation (US) 1999-08-11 EP disclosed
WO-1998004528-A2 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS BAYER CORPORATION (US) 1998-02-05 WO disclosed
WO-1995013807-A1 INDOLO[2,1-b]QUINAZOLINE-6,12-DIONE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF PATHOGENESIS CORPORATION (US) 1995-05-26 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 (2 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-20050009838-A1 Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors MMP1, PREP, MMP3 CYP3A4 3692/4885TDP1 2659/4885CES2 1197/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 CYP3A4 26/4885TDP1 3473/4885CES2 2421/4885

“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.