SCHEMBL5994912

SCHEMBL5994912

COc1cc(OC)c(C(=O)P(=O)(CC(C)CC(C)(C)C)C(=O)c2c(Cl)cccc2Cl)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TAS1R2 Q8TE23 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
ELANE P08246 3/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPT P10636 1/20 0.33
TOP1 P11387 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
SCHEMBL5997952 0.91 ITGB1 (0.36) TAS1R3TAS1R1
SCHEMBL5996300 0.91 MAPT (0.41) ABCG2MAPT
SCHEMBL4145897 0.90 CYP3A4 (0.39) ABCG2LMNA
SCHEMBL5997127 0.88 ABCG2 (0.36) TAS1R3TAS1R1TAS1R2ABCG2KMT2A
SCHEMBL5994546 0.87 GAA (0.35) TAS1R3TAS1R1ABCG2MEN1KMT2A
SCHEMBL5994350 0.87 ABCG2 (0.41) TAS1R3TAS1R1TAS1R2ABCG2ELANE
SCHEMBL5997728 0.86 KCNK3 (0.39) ABCG2LMNAMAPT
SCHEMBL610990 0.86 ALDH1A1 (0.36) TAS1R3TAS1R1TAS1R2KMT2ALMNA
SCHEMBL5994701 0.86 GRM5 (0.34) TAS1R3TAS1R1MEN1KMT2AMAPT
SCHEMBL5994322 0.85 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2MEN1KMT2A

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 2690/4885TAS1R2 3235/4885
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 3587/4885TAS1R2 3474/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 TAS1R3 737/4885TAS1R1 1091/4885TAS1R2 1514/4885

“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.