SCHEMBL1304780

SCHEMBL1304780

B.Cc1ccccc1Pc1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ACHE P22303 3/20 0.50
ALDH1A1 P00352 5/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 3/20 0.36
CYP2A6 P11509 2/20 0.36
NQO2 P16083 1/20 0.35
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
ESR1 P03372 1/20 0.33
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL146928 0.97 TSHR (0.53) TSHRACHEALDH1A1CA1CA2
SCHEMBL5645150 0.94 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
Hydrochloric Acid SCHEMBL541709 0.94 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
SCHEMBL29083664 0.94 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
SCHEMBL31457202 0.94 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
Hydrochloric Acid SCHEMBL29042332 0.92 TSHR (0.47) TSHRACHEALDH1A1CA1CA2
Hydrochloric Acid SCHEMBL3223494 0.92 TSHR (0.47) TSHRACHEALDH1A1CA1CA2
Bromide SCHEMBL29042359 0.92 TSHR (0.47) TSHRACHEALDH1A1CA1CA2
Propane SCHEMBL29069359 0.89 TSHR (0.45) TSHRACHEALDH1A1CA1CA2
SCHEMBL3632065 0.87 ACHE (0.43) TSHRACHEALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010004278-A1 METHOD FOR INCREASING THE ENANTIOMERIC EXCESS OF CHIRAL PHOSPHINE OXIDES, SULPHIDES, IMIDES AND BORANES CELTIC CATALYSTS LIMITED (IE) 2010-01-14 WO claimed
US-9707553-B2 P-chirogenic organophosphorus compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-18 US disclosed
EP-3150613-A1 P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-04-05 EP disclosed
EP-2731956-B1 P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS CENTRE NAT RECH SCIENT (FR) 2016-11-09 EP disclosed
US-20160023199-A1 P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS SYNTHELOR SAS (FR) 2016-01-28 US disclosed
US-9186661-B2 P-chirogenic organophosphorus compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-11-17 US disclosed
EP-2297170-B1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS LUCITE INT UK LTD (GB) 2015-09-09 EP disclosed
US-8816113-B2 Process for the carbonylation of ethylenically unsaturated compounds, novel carbonylation ligands and catalyst systems incorporating such ligands LUCITE INTERNATIONAL UK LIMITED (GB) 2014-08-26 US disclosed
US-20140142325-A1 P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE(CNRS) (FR) 2014-05-22 US disclosed
US-8053604-B2 Process for preparation of diphosphine compounds and intermediates for the process TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-08 US disclosed
EP-2297170-A1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS Lucite International UK Limited (GB) 2011-03-23 EP disclosed
US-20100125153-A1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS SPERA PHARMA, INC. (JP) 2010-05-20 US disclosed
US-7678942-B2 Process for preparation of diphosphine compounds and intermediates for the process TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-16 US disclosed
WO-2010004278-A1 METHOD FOR INCREASING THE ENANTIOMERIC EXCESS OF CHIRAL PHOSPHINE OXIDES, SULPHIDES, IMIDES AND BORANES CELTIC CATALYSTS LIMITED (IE) 2010-01-14 WO disclosed
WO-2010001174-A1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS LUCITE INTERNATIONAL UK LIMITED (GB) 2010-01-07 WO disclosed
EP-1452537-B1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS TAKEDA PHARMACEUTICAL (JP) 2009-08-05 EP disclosed
US-20070161805-A1 Phosphine-borane complex enantiomorph compounds produced in solvents and in the presence of nickel catalysts; useful for asymmetric synthesis of compounds useful as drug for prophylaxis or treatment of increased urinary frequency or urinary incontinence, Alzheimer's disease SPERA PHARMA, INC. (JP) 2007-07-12 US disclosed
US-7208633-B2 Process for preparation of diphosphine compounds and intermediates for the process TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
US-20050027124-A1 Process for preparation of diphosphine compounds and intermediates for the process SPERA PHARMA, INC. (JP) 2005-02-03 US disclosed
EP-1452537-A1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS Takeda Chemical Industries, Ltd. (JP) 2004-09-01 EP 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 (4 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-20100125153-A1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS H1-10, ITPA, RER1 TSHR 1063/4885ACHE 1352/4885ALDH1A1 4580/4885
US-20070161805-A1 Phosphine-borane complex enantiomorph compounds produced in solvents and in the presence of nickel catalysts; useful for asymmetric synthesis of compounds useful as drug for prophylaxis or treatment of increased urinary frequency or urinary incontinence, Alzheimer's disease BACE1, H1-10, PRMT1 TSHR 1972/4885ACHE 7/4885ALDH1A1 2206/4885
US-20050027124-A1 Process for preparation of diphosphine compounds and intermediates for the process H1-10, ITPA, RER1 TSHR 1089/4885ACHE 1361/4885ALDH1A1 4580/4885
US-20160023199-A1 P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS ACHE, PTMS, DDT TSHR 3601/4885ACHE 1/4885ALDH1A1 2686/4885

“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.