SCHEMBL5997608

SCHEMBL5997608

COc1cc(OC)c(C(=O)[PH](=O)CCC(=O)c2c(C)cc(C(C)(C)C)cc2C)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.39
LMNA P02545 2/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39
EBP Q15125 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CYP3A4 P08684 4/20 0.36
MAPK1 P28482 2/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL5996233 0.95 CYP2D6 (0.42) CYP2D6LMNAHTR1AADRA2AADRA2C
SCHEMBL5995324 0.89 CYP2D6 (0.41) CYP2D6LMNAHTR1AADRA2AADRA2C
SCHEMBL5995486 0.88 CA12 (0.37) LMNAMAPK1ALDH1A1TDP1
SCHEMBL5996052 0.87 CNR2 (0.33) CYP2D6LMNAHTR1AADRA2AADRA2C
SCHEMBL5996385 0.85 CYP2D6 (0.41) CYP2D6LMNAHTR1AADRA2AADRA2C
SCHEMBL5993536 0.85 HTR1D (0.36) ALDH1A1TDP1HPGD
SCHEMBL5996132 0.84 RAB9A (0.46) LMNAUSP2SMN1; SMN2ALDH1A1
SCHEMBL5994603 0.84 CYP2D6 (0.44) CYP2D6LMNAHTR1AADRA2AADRA2C
SCHEMBL5996440 0.81 KDM4E (0.35) LMNAMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL5995828 0.81 KDM4E (0.35) LMNAMAPK1SMN1; SMN2ALDH1A1HPGD

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 CYP2D6 711/4885LMNA 763/4885HTR1A 732/4885
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 CYP2D6 3653/4885LMNA 975/4885HTR1A 1932/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 CYP2D6 1207/4885LMNA 848/4885HTR1A 169/4885

“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.