SCHEMBL5993348

SCHEMBL5993348

CCCCP(=O)(CCC(C)C)C(=O)c1c(OC)cccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
TSHR P16473 3/20 0.39
PLK1 P53350 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR2A P28223 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36
TAAR1 Q96RJ0 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
SCHEMBL5996422 0.91 PPARA (0.50) PPARATAS1R3TAS1R1CA12CA1
SCHEMBL5995437 0.88 PPARA (0.44) PPARATAS1R3TAS1R1CA12CA1
SCHEMBL5995379 0.88 PPARA (0.51) PPARACA12CA1CA2CA7
SCHEMBL5995244 0.88 PPARA (0.48) PPARATAS1R3TAS1R1CA12CA1
SCHEMBL5996767 0.87 PPARA (0.53) PPARACA12CA1CA2CA7
SCHEMBL5998143 0.87 PPARA (0.53) PPARACA12CA1CA2CA7
SCHEMBL5994723 0.87 PPARA (0.53) PPARACA12CA1CA2CA7
SCHEMBL5997884 0.87 PPARA (0.53) PPARACA12CA1CA2CA7
SCHEMBL5997349 0.85 CA12 (0.42) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL5996798 0.85 PPARA (0.48) PPARATAS1R3TAS1R1CA12CA1

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 8 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
CN-1198831-C Organic metal monoacylalkylphosphine compound CIBA SC HOLDING AG (CH) 2005-04-27 CN 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
CN-1329005-A Organic metal monoacylalkylphosphine compound CIBA SC HOLDING AG (CH) 2002-01-02 CN 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 PPARA 1123/4885TAS1R3 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 PPARA 2606/4885TAS1R3 3748/4885TAS1R1 3587/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 PPARA 2465/4885TAS1R3 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.