SCHEMBL5996140

SCHEMBL5996140

CCOC(=O)C(CC(C)CC(C)(C)C)C(=O)c1c(C)cc(C)cc1C.O=[PH3]

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL5996281 0.92 KDM4E (0.32) KDM4EL3MBTL1
SCHEMBL5996492 0.90 KDM4E (0.31) KDM4EL3MBTL1
SCHEMBL5993754 0.90 TAS1R3 (0.35) KDM4EL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL5995771 0.90 ESR1 (0.34) KDM4EL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL5993830 0.89 KDM4E (0.32) KDM4EL3MBTL1
SCHEMBL5993768 0.89 ITGB1 (0.35) KDM4ECYP3A4ALDH1A1TSHR
SCHEMBL5995402 0.88 KDM4E (0.31) KDM4EKMT2AALDH1A1
SCHEMBL5997882 0.88 ESR1 (0.37) ALDH1A1TSHR
SCHEMBL5998265 0.88 ESR1 (0.37) ALDH1A1TSHR
SCHEMBL5996476 0.88 ESR1 (0.37) ALDH1A1TSHR

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 KDM4E 3308/4885L3MBTL1 1852/4885MEN1 3862/4885
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 KDM4E 662/4885L3MBTL1 1879/4885MEN1 2456/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 KDM4E 2655/4885L3MBTL1 2570/4885MEN1 3695/4885

“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.

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