SCHEMBL5995481

SCHEMBL5995481

COc1cc(OC)c(C(=O)P(=O)(CC(C)C)C(=O)c2c(C)cc(C)cc2C)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
HPGD P15428 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
SCHEMBL5995448 0.93 PKM (0.38) SMN1; SMN2KMT2APKM
SCHEMBL5995238 0.89 CYP3A4 (0.36) CYP3A4USP2MAPK1SMN1; SMN2TP53
SCHEMBL5994238 0.89 ABCG2 (0.40) CYP3A4USP2MAPK1SMN1; SMN2TP53
SCHEMBL5995341 0.87 CA12 (0.40) CYP3A4MAPK1KMT2APKM
SCHEMBL5997395 0.87 TP53 (0.50) SMN1; SMN2TP53KMT2APKMHPGD
SCHEMBL5994583 0.87 CYP3A4 (0.42) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL5993505 0.86 CYP3A4 (0.34) CYP3A4USP2MAPK1SMN1; SMN2TP53
SCHEMBL5994847 0.85 TAS1R3 (0.33) KMT2APKM
SCHEMBL275128 0.85 KMT2A (0.38) MAPK1SMN1; SMN2KMT2AHPGD
SCHEMBL5994270 0.85 TAS1R3 (0.39) KMT2APKMHPGD

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 CYP3A4 432/4885USP2 4345/4885MAPK1 1788/4885
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 CYP3A4 2973/4885USP2 4183/4885MAPK1 444/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 CYP3A4 946/4885USP2 3795/4885MAPK1 1524/4885

“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.