SCHEMBL5994900

SCHEMBL5994900

CCOc1cccc(OCC)c1C(=O)P(=O)(CC(C)C)C(=O)c1c(C)cccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.39
TAS1R1 Q7RTX1 4/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
GLA P06280 1/20 0.37
HCRTR1 O43613 3/20 0.37
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HCRTR2 O43614 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35

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
SCHEMBL445527 0.93 L3MBTL1 (0.41) TAS1R3TAS1R1L3MBTL1GLAHCRTR1
SCHEMBL5994242 0.91 TAS1R3 (0.40) TAS1R3TAS1R1L3MBTL1HCRTR1KMT2A
SCHEMBL5995857 0.88 MAPT (0.40) TAS1R3TAS1R1L3MBTL1HCRTR1KMT2A
SCHEMBL5995758 0.88 SMN1; SMN2 (0.47) L3MBTL1GLAHCRTR1KDM4ENPC1
SCHEMBL5997281 0.86 TAS1R3 (0.44) TAS1R3TAS1R1KMT2AKDM4EPOLB
SCHEMBL5997373 0.86 GLA (0.41) TAS1R3TAS1R1L3MBTL1GLAHCRTR1
SCHEMBL6465877 0.86 L3MBTL1 (0.39) L3MBTL1KMT2ATDP1KDM4EMEN1
SCHEMBL5994405 0.86 KCNK3 (0.34) TAS1R3TAS1R1L3MBTL1GLAHCRTR1
SCHEMBL5994540 0.83 SMN1; SMN2 (0.43) KDM4EMAPTTSHRHTTKCNK3
SCHEMBL5995649 0.82 L3MBTL1 (0.39) TAS1R3TAS1R1L3MBTL1GLAHCRTR1

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 TAS1R3 2305/4885TAS1R1 2690/4885L3MBTL1 1852/4885
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 TAS1R3 3748/4885TAS1R1 3587/4885L3MBTL1 1879/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 TAS1R3 737/4885TAS1R1 1091/4885L3MBTL1 2570/4885

“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.