SCHEMBL5995447

SCHEMBL5995447

CCC(C)P(=O)(C(=O)c1c(C)cccc1C)C(=O)c1c(OC)cc(OC)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
TAS1R2 Q8TE23 1/20 0.40
ABCG2 Q9UNQ0 3/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 3/20 0.37
TP53 P04637 2/20 0.37
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL5996195 0.91 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2ALDH1A1MAPT
SCHEMBL5996128 0.91 MAPT (0.45) TAS1R3TAS1R1TAS1R2ABCG2MAPT
SCHEMBL5996509 0.90 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2ALDH1A1MAPT
SCHEMBL5995301 0.89 CYP3A4 (0.38) TAS1R3TAS1R1ABCG2KMT2ACYP3A4
SCHEMBL5995470 0.89 TP53 (0.46) ABCG2ALDH1A1MAPTKMT2ATP53
SCHEMBL5997928 0.88 ALDH1A1 (0.37) ABCG2ALDH1A1MAPTKMT2ACYP3A4
SCHEMBL5997621 0.87 SMN1; SMN2 (0.43) ABCG2ALDH1A1MAPTTP53ATM
SCHEMBL5994376 0.87 ABCG2 (0.41) TAS1R3TAS1R1TAS1R2ABCG2ALDH1A1
SCHEMBL5996321 0.86 CYP3A4 (0.35) TAS1R3TAS1R1MAPTKMT2ACYP3A4
SCHEMBL6466911 0.84 L3MBTL1 (0.38) TAS1R3TAS1R1TAS1R2ALDH1A1KMT2A

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.