SCHEMBL3323494

SCHEMBL3323494

CC(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[Ni]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 1/20 0.43
ESR1 P03372 4/20 0.36
ESR2 Q92731 4/20 0.36
TRPA1 O75762 2/20 0.32
TAAR1 Q96RJ0 4/20 0.32
SLC6A2 P23975 2/20 0.32
MAOA P21397 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP2A6 P11509 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
ACHE P22303 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2C P18825 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
Hydrochloric Acid SCHEMBL4444427 0.97 TDP1 (0.41) TDP1CYP3A4ESR1ESR2TRPA1
SCHEMBL104024 0.97 TDP1 (0.45) TDP1CYP3A4ESR1ESR2TRPA1
Hydrochloric Acid SCHEMBL8106508 0.94 TDP1 (0.43) TDP1CYP3A4ESR1ESR2TRPA1
SCHEMBL1534405 0.94 TDP1 (0.43) TDP1CYP3A4ESR1ESR2TRPA1
SCHEMBL10605346 0.94 TDP1 (0.43) TDP1CYP3A4ESR1ESR2TRPA1
SCHEMBL9764627 0.94 TDP1 (0.43) TDP1CYP3A4ESR1ESR2TRPA1
SCHEMBL9803953 0.94 TDP1 (0.43) TDP1CYP3A4ESR1ESR2TRPA1
SCHEMBL9764212 0.94 TDP1 (0.43) TDP1CYP3A4ESR1ESR2TRPA1
Hydrochloric Acid SCHEMBL2037899 0.92 TDP1 (0.41) TDP1CYP3A4ESR1ESR2TRPA1
Hydrochloric Acid SCHEMBL1258765 0.92 TDP1 (0.41) TDP1CYP3A4ESR1ESR2TRPA1

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
EP-1153031-A1 METHOD FOR PREPARING CHIRAL DIPHOSPHINES RHODIA CHIMIE (FR) 2001-11-14 EP claimed
WO-2000049028-A1 METHOD FOR PREPARING CHIRAL DIPHOSPHINES RHODIA CHIMIE (FR) 2000-08-24 WO claimed
US-20230416182-A1 PROCESS FOR PREPARING FRAMBIONE RHODIA OPERATIONS (FR) 2023-12-28 US disclosed
EP-4255879-A1 METHOD FOR PRODUCING FRAMBINONE RHODIA OPERATIONS (FR) 2023-10-11 EP disclosed
CN-116615407-A Method for producing raspberry ketone 罗地亚经营管理公司 2023-08-18 CN disclosed
US-11484052-B2 Vanillin and/or ethylvanillin, process for their preparations and use thereof RHODIA OPERATIONS (FR) 2022-11-01 US disclosed
WO-2022117670-A1 METHOD FOR PRODUCING FRAMBINONE RHODIA OPERATIONS (FR) 2022-06-09 WO disclosed
US-20140291653-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ANTHRACENE DERIVATIVE IDEMITSU KOSAN CO., LTD. (JP) 2014-10-02 US disclosed
US-8674125-B2 Method for the preparation of phosphine butadiene ligands, complexes thereof with copper and use thereof in catalysis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2014-03-18 US disclosed
US-8604201-B2 Use of cyclovinyl phosphine/copper complexes as arylation catalysts CENTRE NATIONAL DE RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2013-12-10 US disclosed
US-20130165667-A1 METHOD FOR THE PREPARATION OF PHOSPHINE BUTADIENE LIGANDS, COMPLEXES THEREOF WITH COPPER AND USE THEREOF IN CATALYSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2013-06-27 US disclosed
US-8431750-B2 Preparation of hydroxyaromatic aldehydes RHODIA OPERATIONS (FR) 2013-04-30 US disclosed
US-20110306802-A1 PREPARATION OF HYDROXYAROMATIC ALDEHYDES SPECIALTY OPERATIONS FRANCE (FR) 2011-12-15 US disclosed
US-20100298569-A1 USE OF CYCLOVINYL PHOSPHINE/COPPER COMPLEXES AS ARYLATION CATALYSTS CENTRE NATIONAL DE RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-11-25 US disclosed
US-20100121076-A1 METHOD FOR THE PREPARATION OF PHOSPHINE BUTADIENE LIGANDS, COMPLEXES THEREOF WITH COPPER AND USE THEREOF IN CATALYSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-05-13 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 (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-20130165667-A1 METHOD FOR THE PREPARATION OF PHOSPHINE BUTADIENE LIGANDS, COMPLEXES THEREOF WITH COPPER AND USE THEREOF IN CATALYSIS BCHE, DOHH, AOC1 TDP1 3711/4885CYP3A4 1323/4885ESR1 3488/4885
US-20100298569-A1 USE OF CYCLOVINYL PHOSPHINE/COPPER COMPLEXES AS ARYLATION CATALYSTS CPNE4, CBR3, DDT TDP1 4230/4885CYP3A4 1049/4885ESR1 2180/4885
US-20230416182-A1 PROCESS FOR PREPARING FRAMBIONE GRHPR, FDPS, FPGS TDP1 997/4885CYP3A4 1101/4885ESR1 1988/4885
US-20100121076-A1 METHOD FOR THE PREPARATION OF PHOSPHINE BUTADIENE LIGANDS, COMPLEXES THEREOF WITH COPPER AND USE THEREOF IN CATALYSIS PDXK, AOC1, PNPO TDP1 3753/4885CYP3A4 1643/4885ESR1 4023/4885
US-20110306802-A1 PREPARATION OF HYDROXYAROMATIC ALDEHYDES AOX1, ALDH2, ALDH1A1 TDP1 1364/4885CYP3A4 29/4885ESR1 2120/4885
US-11484052-B2 Vanillin and/or ethylvanillin, process for their preparations and use thereof COMT, VARS1, BPGM TDP1 2262/4885CYP3A4 14/4885ESR1 2554/4885

“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.