SCHEMBL5993302

SCHEMBL5993302

COc1ccc(C(=O)C(CP=O)C(=O)c2c(OC)cc(OC)cc2OC)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.43
PKM P14618 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
RAD52 P43351 1/20 0.41
TNFRSF1A P19438 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL6396397 0.88 TP53 (0.43) TP53NPC1RAB9APKMSMN1; SMN2
SCHEMBL5994591 0.81 CYP3A4 (0.39) SMN1; SMN2LMNAKMT2AMEN1ABCG2
SCHEMBL6399267 0.78 CYP3A4 (0.37) SMN1; SMN2LMNAKMT2AABCG2HPGD
SCHEMBL338325 0.73 TP53 (0.45) TP53NPC1RAB9ASMN1; SMN2HTT
SCHEMBL5994805 0.73 ALDH1A1 (0.35) PKMSMN1; SMN2KMT2AALDH1A1GAA
SCHEMBL7180696 0.73 TDP1 (0.46) TP53SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL27822041 0.73 NPC1 (0.60) TP53NPC1RAB9ASMN1; SMN2HTT
SCHEMBL14519861 0.73 NPC1 (0.60) TP53NPC1RAB9APKMSMN1; SMN2
SCHEMBL24353143 0.72 NPC1 (0.55) TP53NPC1RAB9APKMSMN1; SMN2
SCHEMBL27670689 0.71 NPC1 (0.58) TP53NPC1RAB9ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026017-B2 Photoinitiators for acrylic esters; reacting an acyl halide with a metal benzoyl phosphine; cable coatings, screen printing stencils, resist materials, colour filters, electrical encapsulation CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-04-11 US disclosed
US-6969733-B2 Photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-11-29 US disclosed
US-20030139485-A1 Photoinitiators WOLF JEAN-PIERRE (CH) 2003-07-24 US disclosed
US-20030130370-A1 Photoinitiators for acrylic esters; reacting an acyl halide with a metal benzoyl phosphine; cable coatings, screen printing stencils, resist materials, colour filters, electrical encapsulation WOLF JEAN-PIERRE (CH) 2003-07-10 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 (2 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-20030139485-A1 Photoinitiators DHCR24, NR1I3, CBR1 TP53 4142/4885NPC1 850/4885RAB9A 3300/4885
US-20030130370-A1 Photoinitiators for acrylic esters; reacting an acyl halide with a metal benzoyl phosphine; cable coatings, screen printing stencils, resist materials, colour filters, electrical encapsulation SMARCC1, ARPC5L, DHCR24 TP53 4400/4885NPC1 1321/4885RAB9A 1141/4885

“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.