SCHEMBL5995448

SCHEMBL5995448

COc1cc(C)cc(OC)c1C(=O)P(=O)(CC(C)C)C(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
TAS1R3 Q7RTX0 8/20 0.36
TAS1R1 Q7RTX1 8/20 0.36
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL5995481 0.93 CYP3A4 (0.38) PKMSMN1; SMN2KMT2A
SCHEMBL5994847 0.91 TAS1R3 (0.33) PKMTAS1R3TAS1R1ALDH1A1MAPT
SCHEMBL5995341 0.91 CA12 (0.40) PKMTAS1R3TAS1R1ALDH1A1MAPT
SCHEMBL5994270 0.91 TAS1R3 (0.39) PKMTAS1R3TAS1R1ALDH1A1MAPT
SCHEMBL275128 0.88 KMT2A (0.38) TAS1R3TAS1R1ALDH1A1SMN1; SMN2MAPT
SCHEMBL5997530 0.88 CA12 (0.41) TAS1R3TAS1R1ALDH1A1MAPT
SCHEMBL5995257 0.85 TAS1R3 (0.34) PKMTAS1R3TAS1R1ALDH1A1SMN1; SMN2
SCHEMBL5994796 0.84 PKM (0.38) PKMTAS1R3TAS1R1ALDH1A1SMN1; SMN2
SCHEMBL5997395 0.83 TP53 (0.50) PKMALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL14570826 0.82 HPGD (0.35) TAS1R3TAS1R1ALDH1A1SMN1; SMN2MAPT

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 PKM 4644/4885TAS1R3 2305/4885TAS1R1 2690/4885
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 PKM 4235/4885TAS1R3 3748/4885TAS1R1 3587/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 PKM 4829/4885TAS1R3 737/4885TAS1R1 1091/4885

“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.