SCHEMBL5997399

SCHEMBL5997399

CCC(C)PC(=O)c1c(OC)c(Br)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
APOBEC3A P31941 1/20 0.41
HTT P42858 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
PTPN1 P18031 1/20 0.37
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 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
SCHEMBL5994977 0.86 MEN1 (0.42) TSHRAPOBEC3AHTTAPOBEC3GMAPK1
SCHEMBL5996626 0.85 POLB (0.42) TSHRALDH1A1DRD2DRD4DRD3
SCHEMBL5995528 0.81 TSHR (0.43) TSHRAPOBEC3AHTTAPOBEC3GMAPK1
SCHEMBL5996196 0.80 MAPT (0.41) HTTMAPK1ALDH1A1PTPN1HSD17B10
SCHEMBL5997847 0.80 TSHR (0.45) TSHRAPOBEC3AHTTAPOBEC3GSMN1; SMN2
SCHEMBL27507886 0.80 TSHR (0.42) TSHRAPOBEC3AHTTAPOBEC3GMAPK1
SCHEMBL27505875 0.79 TSHR (0.44) TSHRAPOBEC3AHTTAPOBEC3GSMN1; SMN2
SCHEMBL5995424 0.79 ALDH1A1 (0.40) TSHRMAPK1ALDH1A1HPGD
SCHEMBL5997241 0.77 KDM4E (0.40) TSHRMAPK1ALDH1A1DRD2DRD4
SCHEMBL5995312 0.76 TSHR (0.41) TSHRAPOBEC3AHTTAPOBEC3GSMN1; SMN2

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 11 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
CN-1589276-A Multimer of acylphosphines and their derivatives CIBA SC HOLDING AG (CH) 2005-03-02 CN 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 TSHR 1096/4885APOBEC3A 4099/4885HTT 2638/4885
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 TSHR 4029/4885APOBEC3A 4658/4885HTT 2818/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 TSHR 1670/4885APOBEC3A 3767/4885HTT 2895/4885

“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.