Sugi Predict

Sugi Predict / Compounds / SCHEMBL5107698

SCHEMBL5107698

SCHEMBL5107698

CC(c1ccccc1)P(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ DPP4 P27487 2/20 0.36
▸ F2 P00734 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MIF P14174 1/20 0.35

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
SCHEMBL7781865 1.00 TAAR1 (0.39) TAAR1CYP3A4TDP1KDM4EADRA2A
SCHEMBL6288575 0.80 TAAR1 (0.40) TAAR1CYP3A4TDP1KDM4EADRA2A
SCHEMBL8467150 0.80 CYP3A4 (0.39) TAAR1CYP3A4TDP1LMNAHIF1A
SCHEMBL28980077 0.76 HTR2A (0.49) ALDH1A1
SCHEMBL18219540 0.76 TAAR1 (0.39) TAAR1CYP3A4TDP1KDM4EADRA2A
SCHEMBL4369978 0.76 TAAR1 (0.37) TAAR1CYP3A4TDP1KDM4EADRA2A
SCHEMBL12584889 0.76 TDP1 (0.45) TAAR1CYP3A4TDP1KDM4EADRA2A
SCHEMBL104024 0.76 TDP1 (0.45) TAAR1CYP3A4TDP1KDM4EADRA2A
SCHEMBL29178 0.76 TDP1 (0.45) TAAR1CYP3A4TDP1KDM4EADRA2A
SCHEMBL18832827 0.76 TDP1 (0.45) TAAR1CYP3A4TDP1KDM4EADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020137820-A1 Phosphorus compounds SANDOZ LTD. (CH) 2002-09-26 — — US claimed
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
CN-105153009-A Bimaleimide with asymmetric molecular structure and preparation methods thereof, and application of bimaleimide in preparation of composite resin UNIV FUDAN 2015-12-16 — — CN 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-20060030737-A1 Chiral diols, their manufacture and ligands and catalysts derived therefrom CIBA SPECIALTY CHEMICALS CORP. 2006-02-09 — — US disclosed
EP-1582527-A1 Synthesis of phosphorus based ligands Ciba SC Holding AG (CH) 2005-10-05 — — EP disclosed
CN-1675333-A Compounds comprising phosphorus-containing metal complexes DU PONT (US) 2005-09-28 — — CN disclosed
EP-0989122-A1 Process for the preparation of imidazolidine-2,4-diones Degussa-Hüls Aktiengesellschaft (DE) 2000-03-29 — — EP disclosed
US-5488079-A HEAT AND LIGHT STABILIZERS FOR OLEFINS USING PHOSPHINES SANDOZ LTD. (CH) 1996-01-30 — — US disclosed
US-4687874-A Selective hydroformylation process using alkyl diaryl phosphine rhodium carbonyl hydride catalysts EXXON RESEARCH AND ENGINEERING COMPANY (US) 1987-08-18 — — US disclosed
US-4687866-A Ligand exchange process for producing alkyl diaryl phosphine rhodium carbonyl hydrides EXXON RESEARCH AND ENGINEERING COMPANY (US) 1987-08-18 — — US disclosed
US-4668809-A ALKYL DIARYLPHOSPHINE RHODIUM CARBONYL HYDRIDES, HYDROFORMYLATION, OLEFINS EXXON RESEARCH AND ENGINEERING (US) 1987-05-26 — — US disclosed
US-4595753-A Nitrogen heterocycle substituted EXXON RESEARCH AND ENGINEERING CO. (US) 1986-06-17 — — US disclosed
EP-0024091-B1 HYDROFORMYLATION PROCESS AND NOVEL TRANSITION METAL CATALYSTS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1985-04-03 — — EP disclosed
EP-0024091-A4 HYDROFORMYLATION PROCESS AND NOVEL TRANSITION METAL CATALYSTS. EXXON RESEARCH ENGINEERING CO (US) 1981-07-16 — — EP disclosed
EP-0024091-A1 HYDROFORMYLATION PROCESS AND NOVEL TRANSITION METAL CATALYSTS. EXXON RESEARCH ENGINEERING CO (US) 1981-02-25 — — EP disclosed
WO-1980001690-A1 CARBONYLATION PROCESS AND NOVEL TRANSITION METAL CATALYSTS EXXON RESEARCH ENGINEERING CO (US) 1980-08-21 — — 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 (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-20060030737-A1 Chiral diols, their manufacture and ligands and catalysts derived therefrom B2M, CYP4F11, CYP2F1 TAAR1 1331/4885CYP3A4 84/4885TDP1 4145/4885

“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.