SCHEMBL203164

SCHEMBL203164

c1ccc(P(c2ccccc2)c2cccc(Oc3cccc(P(c4ccccc4)c4ccccc4)c3P(c3ccccc3)c3ccccc3)c2P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DRD1 P21728 2/20 0.39
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
TOP1 P11387 1/20 0.31

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
SCHEMBL4207442 0.91 TSHR (0.38) CYP3A4TDP1DRD1GAA
SCHEMBL101880 0.83 CYP3A4 (0.50) CYP3A4TDP1DRD1ESR1ESR2
SCHEMBL28765143 0.83 CYP3A4 (0.55) CYP3A4TDP1DRD1ESR1ESR2
SCHEMBL29375055 0.81 CYP3A4 (0.48) CYP3A4TDP1DRD1ESR1ESR2
SCHEMBL31153795 0.81 CYP3A4 (0.48) CYP3A4TDP1DRD1ESR1ESR2
SCHEMBL31059892 0.81 CYP3A4 (0.48) CYP3A4TDP1DRD1ESR1ESR2
SCHEMBL17674561 0.81 CYP3A4 (0.48) CYP3A4TDP1DRD1ESR1ESR2
SCHEMBL2142709 0.81 CYP3A4 (0.48) CYP3A4TDP1DRD1ESR1ESR2
Hydrochloric Acid SCHEMBL2126739 0.79 CYP3A4 (0.46) CYP3A4TDP1DRD1ESR1ESR2
Bromide SCHEMBL4290668 0.79 CYP3A4 (0.46) CYP3A4TDP1DRD1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108299383-B Method for synthesizing dibenzothiophene compound by palladium-catalyzed one-pot method 南京邮电大学 2023-02-14 CN claimed
CN-112225697-B Preparation method of enantiomer pure chloroquine and chloroquine phosphate 宁波大学 2023-01-03 CN claimed
CN-115490613-A Preparation method of aromatic nitrile compound 浙江工业大学 2022-12-20 CN claimed
CN-110156710-B Preparation method of polysubstituted oxazole compound 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2022-10-28 CN claimed
CN-111574567-A Rigid heterocyclic compound, preparation method and application thereof, phosphine-containing sulfonamide compound and preparation method thereof 中山大学 2020-08-25 CN claimed
CN-112480048-B Compound, liquid crystal medium, liquid crystal display element and liquid crystal display 石家庄诚志永华显示材料有限公司 2023-08-29 CN disclosed
CN-115558093-B Catalyst and method for synthesizing biodegradable polyester by air oxidation of 1, 4-butanediol 化学与精细化工广东省实验室 2023-08-22 CN disclosed
CN-111825722-B Saturated red-light-emitting fluorenyl benzoquinoline iridium complex 北京印刷学院 2023-06-09 CN disclosed
CN-110117264-B Phenyl sulfone derivative and application thereof in medicines 广东东阳光药业有限公司 2023-06-09 CN disclosed
CN-108299383-B Method for synthesizing dibenzothiophene compound by palladium-catalyzed one-pot method 南京邮电大学 2023-02-14 CN disclosed
CN-112225697-B Preparation method of enantiomer pure chloroquine and chloroquine phosphate 宁波大学 2023-01-03 CN disclosed
CN-115558093-A Catalyst and method for synthesizing biodegradable polyester by air oxidation of 1, 4-butanediol 化学与精细化工广东省实验室 2023-01-03 CN disclosed
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 US disclosed
EP-2097407-A1 PYRAZOLE ANALOGS Pfizer Products Inc. (US) 2009-09-09 EP disclosed
WO-2009069044-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS PFIZER INC. (US) 2009-06-04 WO disclosed
EP-2029573-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF SE (DE) 2009-03-04 EP disclosed
WO-2008065493-A1 PYRAZOLE ANALOGS PFIZER PRODUCTS INC. (US) 2008-06-05 WO disclosed
US-20080125474-A1 Pyrazole Analogs PFIZER INC. 2008-05-29 US disclosed
WO-2007138051-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF SE (DE) 2007-12-06 WO disclosed
US-6235937-B1 Process for the preparation of nitrodiphenylamines BAYER AKTIENGESELLSCHAFT (DE) 2001-05-22 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 (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-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors ALOX5, ALOX15, CYP3A5 CYP3A4 25/4885TDP1 2233/4885DRD1 3559/4885
US-20080125474-A1 Pyrazole Analogs IL33, CFTR, HRH1 CYP3A4 28/4885TDP1 2884/4885DRD1 2002/4885

“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.