SCHEMBL5996772

SCHEMBL5996772

COc1ccc(C(=O)PCC(C)C)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
RAB9A P51151 2/20 0.48
ABCG2 Q9UNQ0 2/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
RAD52 P43351 1/20 0.47
TNFRSF1A P19438 1/20 0.47
PKM P14618 2/20 0.46
GAA P10253 1/20 0.46
PDE4A P27815 1/20 0.46

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
SCHEMBL27489125 0.98 TP53 (0.58) TP53NPC1SMN1; SMN2HTTLMNA
SCHEMBL5993280 0.84 TP53 (0.49) TP53NPC1SMN1; SMN2HTTLMNA
SCHEMBL5997440 0.83 NPC1 (0.57) TP53NPC1SMN1; SMN2HTTLMNA
SCHEMBL5996093 0.81 CYP3A4 (0.46) TP53SMN1; SMN2LMNAABCG2CYP3A4
SCHEMBL27489419 0.81 NPC1 (0.55) TP53NPC1SMN1; SMN2HTTLMNA
SCHEMBL27487734 0.80 CYP3A4 (0.45) TP53SMN1; SMN2LMNAABCG2CYP3A4
SCHEMBL27982705 0.78 TP53 (0.62) TP53NPC1SMN1; SMN2HTTLMNA
SCHEMBL5995702 0.78 TP53 (0.55) TP53NPC1SMN1; SMN2HTTLMNA
SCHEMBL5997184 0.78 HDAC3 (0.61) TP53NPC1SMN1; SMN2HTTLMNA
Hydrochloric Acid SCHEMBL28047706 0.77 TP53 (0.61) TP53NPC1SMN1; SMN2HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109250-B2 Multimer forms of acylphosphines and their derivatives CIBA SPECIALTY CHEMICALS CORP. (US) 2006-09-19 US disclosed
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-20050004247-A1 Multimer forms of acylphosphines and their derivatives CIBA SPECIALTY CHEMICALS CORP. 2005-01-06 US disclosed
EP-1446410-A1 MULTIMER FORMS OF ACYLPHOSPHINES AND THEIR DERIVATIVES Ciba SC Holding AG (CH) 2004-08-18 EP disclosed
US-6737549-B2 PHOTOINITIATORS FOR ACRYLATE COATINGS CIBA SPECIALTY CHEMICALS CORPORATION 2004-05-18 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
WO-2003044030-A1 MULTIMER FORMS OF ACYLPHOSPHINES AND THEIR DERIVATIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-30 WO disclosed
US-20020026049-A1 Photoinitiators for acrylate coatings CIBA SPECIALTY CHEMICALS CORP. 2002-02-28 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 (3 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 850/4885SMN1; SMN2 3940/4885
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 1321/4885SMN1; SMN2 1663/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 TP53 3402/4885NPC1 623/4885SMN1; SMN2 4099/4885

“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.