SCHEMBL5994591

SCHEMBL5994591

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 2/20 0.37
LMNA P02545 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37
EBP Q15125 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HPGD P15428 3/20 0.36
ABCG2 Q9UNQ0 3/20 0.36
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL5994805 0.93 ALDH1A1 (0.35) CYP3A4SMN1; SMN2L3MBTL1KMT2A
SCHEMBL6399267 0.89 CYP3A4 (0.37) CYP3A4USP2MAPK1SMN1; SMN2CYP2D6
SCHEMBL2499307 0.84 KDM4E (0.36) MAPK1SMN1; SMN2LMNAHPGDL3MBTL1
SCHEMBL5993302 0.81 TP53 (0.46) SMN1; SMN2LMNAHPGDABCG2KMT2A
SCHEMBL5997921 0.77 KMT2A (0.35) MAPK1SMN1; SMN2LMNAHPGDCYP2C19
SCHEMBL6396397 0.77 TP53 (0.43) SMN1; SMN2LMNAHPGDABCG2L3MBTL1
SCHEMBL5996433 0.76 KDM4E (0.37) MAPK1SMN1; SMN2LMNAHPGDL3MBTL1
SCHEMBL5996153 0.73 KMT2A (0.35) CYP3A4SMN1; SMN2LMNAHPGDL3MBTL1
SCHEMBL5996310 0.73 KMT2A (0.41) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL15104504 0.73 CA12 (0.37) CYP3A4MAPK1CYP2C19L3MBTL1MAPT

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 2 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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

“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.