SCHEMBL5996722

SCHEMBL5996722

CCc1cccc(CC)c1C(=O)P(=O)(C(=O)c1c(C)cccc1C)C(C)CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
HSD17B10 Q99714 2/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
F2R P25116 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
PTGS2 P35354 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33

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
SCHEMBL6467280 0.92 GABRA1 (0.39) HSD17B10GABRA1GABRB2MEN1HTT
SCHEMBL6466911 0.92 L3MBTL1 (0.38) SMN1; SMN2L3MBTL1MEN1HTTKMT2A
SCHEMBL5995231 0.90 KMT2A (0.37) HSD17B10GABRA1GABRB2SMN1; SMN2L3MBTL1
SCHEMBL5996841 0.87 MEN1 (0.33) GABRA1GABRB2SMN1; SMN2L3MBTL1MEN1
SCHEMBL5995811 0.85 KMT2A (0.39) SMN1; SMN2L3MBTL1MEN1HTTKMT2A
SCHEMBL5996504 0.84 TYK2 (0.42) ITGB1ITGA4ALDH1A1MAPTTAS1R3
SCHEMBL5996474 0.82 ALDH1A1 (0.43) HSD17B10SMN1; SMN2HTTALDH1A1HPGD
SCHEMBL5996509 0.82 TAS1R3 (0.46) SMN1; SMN2HTTALDH1A1KDM4EMAPT
SCHEMBL5996363 0.82 SMN1; SMN2 (0.35) SMN1; SMN2L3MBTL1MEN1HTTKMT2A
SCHEMBL5995649 0.81 L3MBTL1 (0.39) SMN1; SMN2L3MBTL1HTTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 ITGB1 1746/4885ITGA4 1993/4885HSD17B10 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 ITGB1 1859/4885ITGA4 897/4885HSD17B10 435/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 ITGB1 340/4885ITGA4 407/4885HSD17B10 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.