SCHEMBL5996799

SCHEMBL5996799

COc1ccc(Cl)c(OC)c1C(=O)C(C)P

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.43
TAS1R3 Q7RTX0 7/20 0.41
TAS1R1 Q7RTX1 7/20 0.41
TAS1R2 Q8TE23 5/20 0.41
PDE4D Q08499 2/20 0.38
TUBB1 Q9H4B7 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
CLCN2 P51788 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL5995698 0.89 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10KMT2ATSHR
SCHEMBL5996271 0.87 TDP1 (0.42) ALDH1A1KDM4EHSD17B10PDE4DTUBB1
SCHEMBL5997651 0.81 CYP2D6 (0.40) ALDH1A1KMT2ATSHRTUBB1MAPT
SCHEMBL5995321 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL5994820 0.79 CA12 (0.49) ALDH1A1KDM4EHSD17B10KMT2AGAA
SCHEMBL5998174 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10KMT2ATSHR
SCHEMBL29495000 0.78 ALDH1A1 (0.76) ALDH1A1KDM4EHSD17B10KMT2ATSHR
SCHEMBL14416606 0.78 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10KMT2ATSHR
SCHEMBL3527405 0.78 ALDH1A1 (0.76) ALDH1A1KDM4EHSD17B10KMT2ATSHR
SCHEMBL20662812 0.77 KDM4E (0.58) ALDH1A1KDM4EHSD17B10KMT2ATSHR

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 ALDH1A1 974/4885KDM4E 3308/4885HSD17B10 611/4885
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 ALDH1A1 1088/4885KDM4E 662/4885HSD17B10 435/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 ALDH1A1 835/4885KDM4E 2655/4885HSD17B10 1097/4885

“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.