SCHEMBL5997265

SCHEMBL5997265

COc1cc(OC)c(C(=O)[P](=O)C(C)C(=O)c2c(Cl)cccc2Cl)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.46
CXCL12 P48061 1/20 0.40
ELANE P08246 1/20 0.40
CYP3A4 P08684 2/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AURKA O14965 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
NFKB1 P19838 1/20 0.36
DPP4 P27487 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
SCHEMBL5996168 0.91 CA12 (0.42) ABCG2CXCL12KMT2AMAPTAURKA
SCHEMBL5994346 0.88 ABCG2 (0.46) ABCG2CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL5996392 0.86 ABCG2 (0.45) ABCG2CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL5995806 0.85 CA12 (0.40) CXCL12SMN1; SMN2KMT2AMAPTTP53
SCHEMBL5996921 0.84 ABCG2 (0.40) ABCG2CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL5997937 0.83 ABCG2 (0.45) ABCG2CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL6448662 0.81 LMNA (0.40) ABCG2SMN1; SMN2KMT2AMAPTATM
SCHEMBL5997035 0.81 ABCG2 (0.41) ABCG2SMN1; SMN2MAPTATMHSD17B10
SCHEMBL5995330 0.79 CYP3A4 (0.40) ABCG2CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL5996792 0.79 CA12 (0.41) ABCG2CYP3A4SMN1; SMN2MAPTAURKA

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 ABCG2 3623/4885CXCL12 4554/4885ELANE 4528/4885
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 ABCG2 3245/4885CXCL12 4052/4885ELANE 4803/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 ABCG2 3003/4885CXCL12 4627/4885ELANE 3859/4885

“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.