SCHEMBL4797776

SCHEMBL4797776

CN(C)P(c1ccccc1)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
CYP3A4 P08684 1/20 0.45
ESR1 P03372 4/20 0.37
ESR2 Q92731 4/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
KCNN4 O15554 1/20 0.36
MEN1 O00255 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.33
ALOX12 P18054 1/20 0.33
ACHE P22303 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
MAPT P10636 1/20 0.33
AOC3 Q16853 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL11728690 0.78 MEN1 (0.42) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL1646006 0.77 TDP1 (0.45) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL17828682 0.76 CYP3A4 (0.31) TDP1CYP3A4
SCHEMBL25041169 0.75 OPRM1 (0.42) TDP1ALDH1A1MEN1HTTKMT2A
SCHEMBL14483875 0.74 TDP1 (0.43) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL11571612 0.74 ACHE (0.44) TDP1ALDH1A1TSHRMEN1HTT
Trimethylammonium SCHEMBL8734959 0.73 TDP1 (0.75) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL4904483 0.72 CYP2A6 (0.42) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL11390900 0.72 TDP1 (0.41) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL22015893 0.71 TDP1 (0.35) TDP1CYP3A4ESR1ESR2ALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122006631-A Device for preparing hydrogen fluoride by molecular recognition complexation method and application thereof 浙江大学衢州研究院 2026-05-12 CN disclosed
CN-118290630-A Homo-polymerization and copolymerization reaction of acrylic esters and polar olefins participated by diamino or monoaminophosphine 青岛大学 2024-07-05 CN disclosed
EP-3768688-A1 C-BULKY P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS Université de Bourgogne (FR) 2021-01-27 EP disclosed
US-20200407381-A1 C-BULKY P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS Université de Bourgogne (FR) 2020-12-31 US disclosed
CN-111868065-A C-sterically hindered P-chirally derived organophosphorus compounds 勃艮第大学 2020-10-30 CN disclosed
WO-2019180084-A1 C-BULKY P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS Université de Bourgogne (FR) 2019-09-26 WO disclosed
US-7465838-B2 Chiral diols, their manufacture and ligands and catalysts derived therefrom CIBA SPECIALTY CHEMICAL CORP. (US) 2008-12-16 US disclosed
US-7321048-B2 Organometallic compound purification ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2008-01-22 US disclosed
US-20070117994-A1 Organometallic compound purification ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2007-05-24 US disclosed
US-20060030737-A1 Chiral diols, their manufacture and ligands and catalysts derived therefrom CIBA SPECIALTY CHEMICALS CORP. 2006-02-09 US disclosed
EP-1546077-A2 CHIRAL DIOLS, THEIR MANUFACTURE AND LIGANDS AND CATALYSTS DERIVED THEREFROM Ciba SC Holding AG (CH) 2005-06-29 EP disclosed
WO-2004031109-A2 CHIRAL DIOLS, THEIR MANUFACTURE AND LIGANDS AND CATALYSTS DERIVED THEREFROM CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-04-15 WO disclosed
US-4313945-A 7-Thiazolyl-acetamido-cephem derivatives with terminal aminocarboxylic acid grouping CIBA-GEIGY CORPORATION (US) 1982-02-02 US disclosed
US-4155946-A CATALYST CONSISTS OF A NICKEL COMPOUND, A TRIALKYL ALUMINUM COMPOUND; PHOSPHOROUS COMPOUND AND A HALOGENATED PHENOL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-05-22 US disclosed
US-4145559-A Esters of 4-substituted 2-methyleneglutaric acids and method for preparing same ROHM AND HAAS COMPANY (US) 1979-03-20 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-20200407381-A1 C-BULKY P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS PLCG1, PLCG2, ACHE TDP1 371/4885CYP3A4 834/4885ESR1 3791/4885
US-20060030737-A1 Chiral diols, their manufacture and ligands and catalysts derived therefrom B2M, CYP4F11, CYP2F1 TDP1 4145/4885CYP3A4 84/4885ESR1 1801/4885

“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.