SCHEMBL5997582

SCHEMBL5997582

CC(P)C(=O)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.36
GLRB P48167 1/20 0.36
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
ACHE P22303 1/20 0.34
NR5A2 O00482 1/20 0.34
NR5A1 Q13285 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
RXRA P19793 3/20 0.33
RXRB P28702 3/20 0.33
RXRG P48443 2/20 0.33
HSP90AA1 P07900 1/20 0.32
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL5997685 0.83 POLB (0.38) GABRA1GABRB2ACHECYP2C19TSHR
SCHEMBL27614509 0.76 NR5A2 (0.32) GLRA3GLRBNR5A2NR5A1CYP1A2
SCHEMBL5995867 0.75 NR5A2 (0.33) GLRA3GLRBACHENR5A2NR5A1
SCHEMBL7219598 0.75 GLRA3 (0.39) GLRA3GLRBGABRA1GABRB2NR5A2
SCHEMBL14825538 0.74 GLRA3 (0.42) GLRA3GLRBGABRA1GABRB2NR5A2
SCHEMBL6466602 0.74 GLRA3 (0.57) GLRA3GLRBGABRA1GABRB2NR5A2
SCHEMBL14988234 0.72 GLRA3 (0.41) GLRA3GLRBGABRA1GABRB2NR5A2
SCHEMBL28419884 0.72 GLRA3 (0.55) GLRA3GLRBGABRA1GABRB2NR5A2
SCHEMBL7225441 0.69 NR5A2 (0.42) GLRA3GLRBGABRA1GABRB2NR5A2
SCHEMBL5994443 0.69 NR5A2 (0.37) GLRA3GLRBGABRA1GABRB2NR5A2

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 GLRA3 458/4885GLRB 1164/4885GABRA1 2372/4885
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 GLRA3 1809/4885GLRB 1430/4885GABRA1 3077/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 GLRA3 480/4885GLRB 1931/4885GABRA1 3354/4885

“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.