SCHEMBL5996509

SCHEMBL5996509

CCC(C)P(=O)(C(=O)c1c(C)cccc1C)C(=O)c1c(OC)cccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
TAS1R2 Q8TE23 1/20 0.46
ATM Q13315 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL443439 0.93 CA12 (0.47) TAS1R3TAS1R1TAS1R2CA12CA1
SCHEMBL5996195 0.91 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2ATMTSHR
SCHEMBL5996660 0.91 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2ATMCA12
SCHEMBL5995447 0.90 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2ATMALDH1A1
SCHEMBL6466911 0.89 L3MBTL1 (0.38) TAS1R3TAS1R1TAS1R2CA12CA1
SCHEMBL5995696 0.88 CA12 (0.41) TAS1R3TAS1R1TAS1R2ATMCA12
SCHEMBL5995649 0.88 L3MBTL1 (0.39) TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E
SCHEMBL5996964 0.88 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2ATMCA12
SCHEMBL5996474 0.86 ALDH1A1 (0.43) TAS1R3TAS1R1TAS1R2CA12CA1
SCHEMBL5996241 0.86 SMN1; SMN2 (0.47) ATMCA12CA1CA2CA7

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.