SCHEMBL5994785

SCHEMBL5994785

Cc1cccc(Cl)c1C(=S)PCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
TYK2 P29597 1/20 0.35
UTS2R Q9UKP6 1/20 0.34
ITGB1 P05556 3/20 0.33
ITGA4 P13612 3/20 0.33
ITGA2 P17301 1/20 0.33
ITGB7 P26010 1/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TRPM4 Q8TD43 1/20 0.33
ALDH2 P05091 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DRD3 P35462 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL5993605 0.83 TYK2 (0.32) ALDH1A1GAATYK2UTS2RITGB1
SCHEMBL5994172 0.82 GAA (0.38) ALDH1A1KDM4EGAATYK2UTS2R
SCHEMBL5996981 0.81 TYK2 (0.41) ALDH1A1TYK2UTS2RITGB1ITGA4
SCHEMBL27487732 0.80 TYK2 (0.40) ALDH1A1TYK2UTS2RITGB1ITGA4
SCHEMBL5997804 0.77 DRD3 (0.43) GAATYK2UTS2RFABP3FABP4
SCHEMBL5994663 0.77 GAA (0.35) ALDH1A1KDM4EGAATYK2UTS2R
SCHEMBL5996748 0.75 ALDH1A1 (0.45) ALDH1A1KDM4ETYK2KMT2AHPGD
SCHEMBL5997139 0.71 L3MBTL1 (0.36) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL5994181 0.70 GAA (0.39) ALDH1A1KDM4EGAATYK2UTS2R
SCHEMBL11851293 0.70 GAA (0.44) ALDH1A1GAATYK2ITGB1ITGA4

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 3308/4885GAA 4801/4885
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 662/4885GAA 4108/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 ALDH1A1 835/4885KDM4E 2655/4885GAA 4741/4885

“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.