SCHEMBL5526893

SCHEMBL5526893

Cc1ccc(P(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
TSHR P16473 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
KIF11 P52732 6/20 0.40
NFE2L2 Q16236 1/20 0.39
MAPK1 P28482 1/20 0.38
MLYCD O95822 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ORAI1 Q96D31 1/20 0.37
ORAI2 Q96SN7 1/20 0.37
ORAI3 Q9BRQ5 1/20 0.37
TRPV6 Q9H1D0 1/20 0.37

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
SCHEMBL17563444 1.00 ALDH1A1 (0.45) ALDH1A1BCHEACHETSHRCYP1A1
SCHEMBL17563455 0.92 ACHE (0.50) ALDH1A1BCHEACHETSHRCYP1A1
SCHEMBL287478 0.88 ALDH1A1 (0.48) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL15661104 0.88 ALDH1A1 (0.48) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL9413413 0.86 ALDH1A1 (0.37) ALDH1A1BCHEACHETSHRCYP1A1
SCHEMBL31325622 0.85 ALDH1A1 (0.46) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL5713308 0.85 ALDH1A1 (0.46) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL91414 0.85 TSHR (0.55) ALDH1A1BCHEACHETSHRCYP1A1
SCHEMBL17816159 0.85 TSHR (0.55) ALDH1A1BCHEACHETSHRCYP1A1
Hydrochloric Acid SCHEMBL21724854 0.83 KIF11 (0.46) ALDH1A1TSHRKIF11CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219983-A1 TETRADENTATE DIAMINODIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX, AND METHOD FOR MANUFACTURING SAME AND APPLICATION FOR SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2023-07-13 US disclosed
US-11639362-B2 Tetradentate diaminodiphosphine ligand and transition metal complex, and method for manufacturing same and application for same TAKASAGO INTERNATIONAL CORPORATION (JP) 2023-05-02 US disclosed
EP-2735581-B1 COMPOSITION AND POLYMER ASAHI CHEMICAL IND (JP) 2021-07-14 EP disclosed
US-9950981-B2 Allyl alcohol hydroformylation process LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2018-04-24 US disclosed
US-20180065997-A1 ELECTROLYTE FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY INCLUDING THE ELECTROLYTE SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-03-08 US disclosed
US-20170342010-A1 ALLYL ALCOHOL HYDROFORMYLATION PROCESS LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2017-11-30 US disclosed
US-9765005-B2 Methods of using homogenous rhodium catalysts with N-heterocyclic carbene ligands for the hydroformylation of olefins and substituted olefins LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2017-09-19 US disclosed
US-9738757-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-08-22 US disclosed
US-20170233418-A1 N-(PHOSPHINOALKYL)-N-(THIOALKYL)AMINE DERIVATIVE, METHOD FOR PRODUCING SAME, AND METAL COMPLEX THEREOF TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-08-17 US disclosed
US-20160222168-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-08-04 US disclosed
US-9284390-B2 Copolymer of allyl monomer containing polar group THE UNIVERSITY OF TOKYO (JP) 2016-03-15 US disclosed
US-20160068458-A1 Methods of Using Homogenous Rhodium Catalysts with N-Heterocyclic Carbene Ligands for the Hydroformylation of Olefins and Substituted Olefins LYONDELL CHEMICAL TECHNOLOGY, L.P. 2016-03-10 US disclosed
US-9051399-B2 Method for producing polar group-containing olefin copolymers SHOWA DENKO K.K. (JP) 2015-06-09 US disclosed
US-20150051361-A1 PRODUCTION METHOD OF COPOLYMER OF ALLYL MONOMER CONTAINING POLAR GROUP SHOWA DENKO K.K. (JP) 2015-02-19 US disclosed
US-8957181-B2 Preparation process for cyclic conjugated polymer and polymerization catalyst for cyclic conjugated polymer SOKEN CHEMICAL & ENGINEERING CO., LTD. (JP) 2015-02-17 US disclosed
US-8916663-B2 Production method of copolymer of allyl monomer containing polar group THE UNIVERSITY OF TOKYO (JP) 2014-12-23 US disclosed
EP-2735581-A1 COMPOSITION AND POLYMER Asahi Kasei Chemicals Corporation (JP) 2014-05-28 EP disclosed
US-20130165607-A1 METHOD FOR PRODUCING POLAR GROUP-CONTAINING OLEFIN COPOLYMERS SHOWA DENKO K.K. (JP) 2013-06-27 US disclosed
US-20120116036-A1 PRODUCTION METHOD OF COPOLYMER OF ALLYL MONOMER CONTAINING POLAR GROUP SHOWA DENKO K.K. (JP) 2012-05-10 US disclosed
WO-2011045417-A1 TRIPHENYLPHOSPHINE DERIVATIVES UNIVERSITAT AUTÒNOMA DE BARCELONA (ES) 2011-04-21 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 (6 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-20170233418-A1 N-(PHOSPHINOALKYL)-N-(THIOALKYL)AMINE DERIVATIVE, METHOD FOR PRODUCING SAME, AND METAL COMPLEX THEREOF NSFL1C, TST, NCL ALDH1A1 1341/4885BCHE 1317/4885ACHE 856/4885
US-20170342010-A1 ALLYL ALCOHOL HYDROFORMYLATION PROCESS ADH1A, ADH5, ADH1C ALDH1A1 10/4885BCHE 3101/4885ACHE 4700/4885
US-20230219983-A1 TETRADENTATE DIAMINODIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX, AND METHOD FOR MANUFACTURING SAME AND APPLICATION FOR SAME ADH4, ADH5, PF4 ALDH1A1 219/4885BCHE 1343/4885ACHE 1057/4885
US-11639362-B2 Tetradentate diaminodiphosphine ligand and transition metal complex, and method for manufacturing same and application for same ADH4, ADH5, PF4 ALDH1A1 219/4885BCHE 1343/4885ACHE 1057/4885
US-20180065997-A1 ELECTROLYTE FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY INCLUDING THE ELECTROLYTE RER1, KCNN2, CLCN2 ALDH1A1 756/4885BCHE 1186/4885ACHE 1783/4885
US-20160068458-A1 Methods of Using Homogenous Rhodium Catalysts with N-Heterocyclic Carbene Ligands for the Hydroformylation of Olefins and Substituted Olefins HRH4, ADH1A, HRH3 ALDH1A1 22/4885BCHE 3350/4885ACHE 3379/4885

“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.