SCHEMBL2493713

SCHEMBL2493713

CCOP(=O)(Cc1ccc(-c2ccc(CP(=O)(OCC)OCC)cc2)cc1)OCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
NPY5R Q15761 1/20 0.44
HDAC1 Q13547 2/20 0.43
CCNT1 O60563 3/20 0.42
CDK9 P50750 3/20 0.42
PPARD Q03181 1/20 0.39
POLB P06746 1/20 0.39
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EGFR P00533 1/20 0.36
KCNH2 Q12809 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
SCHEMBL3375825 0.94 TSHR (0.50) TSHRNPY5RHDAC1CCNT1CDK9
SCHEMBL17485921 0.93 HDAC1 (0.40) TSHRNPY5RHDAC1CCNT1CDK9
SCHEMBL3109529 0.93 NPY5R (0.49) TSHRNPY5RHDAC1CCNT1CDK9
SCHEMBL915420 0.91 EGFR (0.44) TSHRNPY5RHDAC1CCNT1CDK9
SCHEMBL12889588 0.91 HDAC1 (0.40) TSHRNPY5RHDAC1CCNT1CDK9
SCHEMBL13321993 0.88 ALDH1A1 (0.41) TSHRNPY5RHDAC1CCNT1CDK9
SCHEMBL12960341 0.88 HRH3 (0.55) TSHRNPY5RHDAC1CCNT1CDK9
SCHEMBL915615 0.88 RARB (0.49) TSHRTLR8TLR7MAPT
SCHEMBL16062693 0.88 POLB (0.46) TSHRNPY5RHDAC1CCNT1CDK9
SCHEMBL917302 0.87 RARB (0.51) HDAC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400793-A1 COMPOSITION FOR POLYURETHANE FOAM, FOAM PREPARED THEREFROM AND A METHOD THEREOF MOMENTIVE PERFORMANCE MATERIALS INC. 2024-12-05 US claimed
CN-114307893-B Reaction device and process method suitable for continuous synthesis of fluorescent whitening agent 沈阳化工研究院有限公司 2023-10-31 CN claimed
CN-114307893-A Reaction device and process method suitable for continuous synthesis of fluorescent whitening agent 沈阳化工研究院有限公司 2022-04-12 CN claimed
US-7078465-B2 Reacting paraformaldehyde with hydrogen bromide to form bis-bromomethyl ether as chemical intermediates; reacting biphenyl to form 4,4'-bis-(bromomethyl)-biphenyl, futher reacting with triethylphosphite to form 4,4'-bis-(diethylphosphonomethyl)-biphenyl; less hazardous, two stage processes MAKHTESHIM CHEMICAL WORKS, LTD. (IL) 2006-07-18 US claimed
US-20040242799-A1 Reacting paraformaldehyde with hydrogen bromide to form bis-bromomethyl ether as chemical intermediates; reacting biphenyl to form 4,4'-bis-(bromomethyl)-biphenyl, futher reacting with triethylphosphite to form 4,4'-bis-(diethylphosphonomethyl)-biphenyl; less hazardous, two stage processes MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2004-12-02 US claimed
EP-1421050-A1 PROCESS TO BROMOMETHYLATE AROMATIC COMPOUNDS MAKHTESHIM CHEMICAL WORKS LIMITED (IL) 2004-05-26 EP claimed
WO-2003018518-A1 PROCESS TO BROMOMETHYLATE AROMATIC COMPOUNDS MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2003-03-06 WO claimed
US-20240400793-A1 COMPOSITION FOR POLYURETHANE FOAM, FOAM PREPARED THEREFROM AND A METHOD THEREOF MOMENTIVE PERFORMANCE MATERIALS INC. 2024-12-05 US disclosed
CN-114307893-B Reaction device and process method suitable for continuous synthesis of fluorescent whitening agent 沈阳化工研究院有限公司 2023-10-31 CN disclosed
CN-114307893-A Reaction device and process method suitable for continuous synthesis of fluorescent whitening agent 沈阳化工研究院有限公司 2022-04-12 CN disclosed
CN-114307892-A Multistage collision mixing micro-reactor and application 沈阳化工研究院有限公司 2022-04-12 CN disclosed
US-20210319957-A1 NOVEL COMPOUND, AND COMPOSITION FOR FORMING HOLE TRANSPORTING LAYER FOR PEROVSKITE SOLAR CELLS Tokyo Chemical Industry Co., Ltd. (JP) 2021-10-14 US disclosed
US-20210284608-A1 OPTICAL DATA COMMUNICATION SYSTEM COMPRISING PARA-PHENYLENEVINYLENES AND SPECIFIC PARA-PHENYLENEVINYLENES BASF SE (DE) 2021-09-16 US disclosed
WO-1999024394-A2 COMPOUNDS FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 1999-05-20 WO disclosed
WO-1998047969-A1 ALKYL, ALKENYL AND ALKYNYL CHRYSAMINE G DERIVATIVES FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 1998-10-29 WO disclosed
US-5382465-A Durability MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-01-17 US disclosed
EP-0300770-B1 Polarizing film containing an anthraquinonic colorant MITSUI TOATSU CHEMICALS (JP) 1994-10-19 EP disclosed
US-5252769-A Anthraquinonic colorant and polarizing film containing the colorant MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-10-12 US disclosed
EP-0300770-A2 Polarizing film containing an anthraquinonic colorant MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-01-25 EP disclosed
US-4118560-A Substituted 1,4-bis-styrylbenzene and 4,4'-bis styrylbiphenyl and their use as optical brightners CIBA-GEIGY CORPORATION (US) 1978-10-03 US 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 (3 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-20210284608-A1 OPTICAL DATA COMMUNICATION SYSTEM COMPRISING PARA-PHENYLENEVINYLENES AND SPECIFIC PARA-PHENYLENEVINYLENES OR10J3, OXER1, CDC73 TSHR 3262/4885NPY5R 3409/4885HDAC1 4880/4885
US-20040242799-A1 Reacting paraformaldehyde with hydrogen bromide to form bis-bromomethyl ether as chemical intermediates; reacting biphenyl to form 4,4'-bis-(bromomethyl)-biphenyl, futher reacting with triethylphosphite to form 4,4'-bis-(diethylphosphonomethyl)-biphenyl; less hazardous, two stage processes FGB, FHIT, PBRM1 TSHR 1145/4885NPY5R 3958/4885HDAC1 783/4885
US-20210319957-A1 NOVEL COMPOUND, AND COMPOSITION FOR FORMING HOLE TRANSPORTING LAYER FOR PEROVSKITE SOLAR CELLS SLC43A1, SLC26A3, KCNT1 TSHR 3012/4885NPY5R 2749/4885HDAC1 4009/4885

“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.