SCHEMBL3390904

SCHEMBL3390904

CC(=O)c1cccc(P(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 3/20 0.46
MAOB P27338 1/20 0.46
CYP3A4 P08684 1/20 0.46
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 3/20 0.44
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
CREBBP Q92793 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL988976 0.84 KMO (0.53) TDP1CYP3A4CYP1A2HPGDCES2
SCHEMBL31598432 0.84 KMO (0.53) TDP1CYP3A4CYP1A2HPGDCES2
SCHEMBL9340230 0.84 KMO (0.53) TDP1CYP3A4CYP1A2HPGDCES2
SCHEMBL21734335 0.82 UNG (0.51) KMT2AMEN1ALDH1A1TDP1MAOB
SCHEMBL13707523 0.82 MAPT (0.59) KMT2AALDH1A1TDP1MAOBCYP3A4
SCHEMBL15656675 0.82 MAPT (0.59) KMT2AALDH1A1TDP1MAOBCYP3A4
SCHEMBL8397432 0.81 CA2 (0.59) ALDH1A1TDP1CYP3A4CES2CES1
SCHEMBL12621051 0.80 MEN1 (0.55) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL1636978 0.80 ACACB (0.41) KMT2AMEN1ALDH1A1TDP1MAOB
SCHEMBL6226554 0.79 CA12 (0.56) KMT2AMEN1ALDH1A1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910744-B2 Pyrazole and Pyrimidine groups are introduced on aromatic phosphine; (3-bromophenyl)methyl ketone and ethylene glycol cyclize to [3-(2-methyl-1,3-dioxolane-2-yl)phenyl]diphenylphosphane; adding hydrazine monohydrate, then oxidizing with hydrogen peroxide; [3-(3-Pyrazolyl)phenyl]diphenylphosphane oxide ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENT II KG (DE) 2011-03-22 US disclosed
US-7910744-B2 Pyrazole and Pyrimidine groups are introduced on aromatic phosphine; (3-bromophenyl)methyl ketone and ethylene glycol cyclize to [3-(2-methyl-1,3-dioxolane-2-yl)phenyl]diphenylphosphane; adding hydrazine monohydrate, then oxidizing with hydrogen peroxide; [3-(3-Pyrazolyl)phenyl]diphenylphosphane oxide ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENT II KG (DE) 2011-03-22 US disclosed
EP-1805193-B1 METHOD FOR THE PRODUCTION OF SUBSTITUTED PHOSPHANES ZYLUM BETEILIGUNGSGMBH & CO PATENTE II KG (DE) 2010-12-29 EP disclosed
EP-1805193-B1 METHOD FOR THE PRODUCTION OF SUBSTITUTED PHOSPHANES ZYLUM BETEILIGUNGSGMBH & CO PATENTE II KG (DE) 2010-12-29 EP disclosed
US-20080221335-A1 Method for the Manufacture of Substituted Phosphanes, and Substituted Phosphanes Manufactured According to Said Method ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2008-09-11 US disclosed
US-20080221335-A1 Method for the Manufacture of Substituted Phosphanes, and Substituted Phosphanes Manufactured According to Said Method ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2008-09-11 US disclosed
EP-1805193-A1 METHOD FOR THE PRODUCTION OF SUBSTITUTED PHOSPHANES, AND SUBSTITUTED PHOSPHANES PRODUCED ACCORDING TO SAID METHOD Technische Universität Chemnitz (DE) 2007-07-11 EP disclosed
WO-2006045272-A1 METHOD FOR THE PRODUCTION OF SUBSTITUTED PHOSPHANES, AND SUBSTITUTED PHOSPHANES PRODUCED ACCORDING TO SAID METHOD TECHNISCHE UNIVERSITÄT CHEMNITZ (DE) 2006-05-04 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-20080221335-A1 Method for the Manufacture of Substituted Phosphanes, and Substituted Phosphanes Manufactured According to Said Method SCLY, SELENOI, TST KMT2A 1052/4885MEN1 941/4885ALDH1A1 1760/4885

“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.