SCHEMBL14604202

SCHEMBL14604202

B.Ic1ccccc1P(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
DRD1 P21728 2/20 0.39
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL5861060 0.98 CYP3A4 (0.52) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL28594000 0.82 TAAR1 (0.33) CYP3A4TDP1
SCHEMBL14604085 0.80 CA1 (0.39) CYP3A4TDP1DRD1KDM4EGAA
SCHEMBL14604083 0.80 CA1 (0.39) CYP3A4TDP1DRD1KDM4EGAA
SCHEMBL150139 0.79 TDP1 (0.69) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL28200386 0.77 CA1 (0.40) CYP3A4TDP1DRD1
SCHEMBL8073956 0.76 CYP3A4 (0.65) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL4146230 0.76 CYP3A4 (0.65) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL28323816 0.76 CYP3A4 (0.65) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL19024432 0.73 TDP1 (0.92) CYP3A4TDP1ESR1ESR2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108339571-A P- chiral source organic phosphorus compounds 国家科学研究中心 2018-07-31 CN disclosed
US-9707553-B2 P-chirogenic organophosphorus compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-18 US 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
US-20140142325-A1 P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE(CNRS) (FR) 2014-05-22 US disclosed
EP-2731956-A1 P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS Centre National de la Recherche Scientifique (C.N.R.S.) (FR) 2014-05-21 EP disclosed
WO-2013007724-A1 P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-01-17 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-20160023199-A1 P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS ACHE, PTMS, DDT CYP3A4 431/4885TDP1 908/4885ESR1 4818/4885

“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.