SCHEMBL2359631

SCHEMBL2359631

CCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.36
SIGMAR1 Q99720 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
DRD3 P35462 2/20 0.35
RAB9A P51151 1/20 0.34
HTR1A P08908 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DRD2 P14416 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL17598759 0.87 TDP1 (0.43) SIGMAR1TDP1ESR1DRD3HTR1A
SCHEMBL19530997 0.85 CYP3A4 (0.43) TDP1CYP3A4ESR1ESR2
SCHEMBL28823017 0.84 KCNH2 (0.46) SIGMAR1TDP1DRD3RAB9ADRD2
SCHEMBL10314926 0.84 KCNH2 (0.46) SIGMAR1TDP1DRD3RAB9ADRD2
SCHEMBL9864179 0.81 CYP3A4 (0.39) TP53SIGMAR1TDP1CYP3A4ESR1
SCHEMBL17190352 0.81 SIGMAR1 (0.43) SIGMAR1CYP3A4DRD3HTR1AMEN1
SCHEMBL15198850 0.80 SIGMAR1 (0.39) TP53SIGMAR1TDP1CYP3A4DRD3
SCHEMBL17190349 0.80 TAAR1 (0.45) SIGMAR1DRD3MEN1TSHRKMT2A
SCHEMBL11292500 0.79 CARM1 (0.42) TDP1CYP3A4SMN1; SMN2
SCHEMBL17930135 0.78 SIGMAR1 (0.49) SIGMAR1CYP3A4DRD3HTR1ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257352-A1 Amino phosphine NOVA Chemicals (International) S.A.. 2011-10-20 US disclosed
US-7994363-B2 Bis(bis(o-fluorophenyl)phosphino) isopropylamine; ethylene oligomerization catalyst; trimerization and tetramerization to 1-hexene and 1-octene also in the presence of a chromium source and a methalumoxane activator; further copolymerization, or separating 1-hexene by distillation; by-product inhibition NOVA CHEMICALS (INTERNATIONAL) S.A (CH) 2011-08-09 US disclosed
US-20080242811-A1 Amino phosphine NOVA CHEMICALS(INTERNATIONAL) S.A. 2008-10-02 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 (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-20080242811-A1 Amino phosphine PAM, POF1B, PHOSPHO1 TP53 903/4885SIGMAR1 417/4885TDP1 1715/4885

“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.