SCHEMBL3787009

SCHEMBL3787009

Cc1ccccc1P(C)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.54
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA5A P35218 1/20 0.46
HPGD P15428 2/20 0.44
CFTR P13569 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACP3 P15309 1/20 0.40
TSHR P16473 4/20 0.39
ACHE P22303 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 2/20 0.39
ALOX15 P16050 1/20 0.39
USP2 O75604 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL25797505 1.00 ESR1 (0.54) ESR1CA2CA4CA5AHPGD
SCHEMBL30085199 1.00 ESR1 (0.54) ESR1CA2CA4CA5AHPGD
SCHEMBL25797391 1.00 ESR1 (0.54) ESR1CA2CA4CA5AHPGD
SCHEMBL10328044 0.88 HPGD (0.46) ESR1CA2HPGDACP3TSHR
SCHEMBL2473967 0.83 CA2 (0.48) ESR1CA2CA4CA5ACFTR
SCHEMBL30598263 0.83 CA2 (0.48) ESR1CA2CA4CA5ACFTR
SCHEMBL2552588 0.82 NPSR1 (0.44) ESR1CA2CA4CA5AHPGD
SCHEMBL471978 0.82 NPSR1 (0.49) ESR1CA2CA4CA5AHPGD
SCHEMBL31212640 0.82 NPSR1 (0.44) ESR1CA2CA4CA5AHPGD
Phenylphosphonic Acid SCHEMBL3820670 0.81 CA2 (0.64) ESR1CA2CA4CA5AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8471067-B2 Stereoselective preparation of P-chiral four-co-ordinated phosphorus compound (o-Tolylphenylmethylphosphine oxide) by reacting chiral alcohol, chiral amine or chiral thiol, with P-chiral three-co-ordinated phosphorus compound, in presence of electrophile UNIVERSITY COLLEGE DUBLIN (IE) 2013-06-25 US claimed
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-20080255391-A1 Chiral Phosphorus Compounds UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND (IE) 2008-10-16 US claimed
JP-2008501010-A 2008-01-17 JP claimed
EP-1751170-A1 CHIRAL PHOSPHORUS COMPOUNDS UNIVERSITY COLLEGE DUBLIN (IE) 2007-02-14 EP claimed
WO-2005118603-A1 CHIRAL PHOSPHORUS COMPOUNDS UNIVERSITY COLLEGE DUBLIN (IE) 2005-12-15 WO claimed
US-8471067-B2 Stereoselective preparation of P-chiral four-co-ordinated phosphorus compound (o-Tolylphenylmethylphosphine oxide) by reacting chiral alcohol, chiral amine or chiral thiol, with P-chiral three-co-ordinated phosphorus compound, in presence of electrophile UNIVERSITY COLLEGE DUBLIN (IE) 2013-06-25 US disclosed
WO-2012113889-A1 PROCESSES FOR THE STEREOSELECTIVE PREPARATION OF P-CHIRAL FOUR -COORDINATED PHOSPHORUS BORANE COMPOUNDS AND P-CHIRAL THREE-COORDINATED PHOSPHORUS COMPOUNDS UNIVERSITY COLLEGE DUBLIN (IE) 2012-08-30 WO 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
US-20080255391-A1 Chiral Phosphorus Compounds UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND (IE) 2008-10-16 US disclosed
EP-1751170-A1 CHIRAL PHOSPHORUS COMPOUNDS UNIVERSITY COLLEGE DUBLIN (IE) 2007-02-14 EP disclosed
WO-2005118603-A1 CHIRAL PHOSPHORUS COMPOUNDS UNIVERSITY COLLEGE DUBLIN (IE) 2005-12-15 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-20080255391-A1 Chiral Phosphorus Compounds PHOSPHO1, PNKP, PTMS ESR1 2438/4885CA2 902/4885CA4 207/4885

“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.