SCHEMBL5993768

SCHEMBL5993768

CCCCCOC(=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 18)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 1/20 0.35
▸ ITGA4 P13612 1/20 0.35
▸ ESR1 P03372 4/20 0.35
▸ CNR1 P21554 3/20 0.34
▸ CNR2 P34972 3/20 0.34
▸ THRA P10827 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ AKR1C4 P17516 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ AKR1C1 Q04828 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 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
SCHEMBL5994395 0.99 ESR1 (0.37) ITGB1ITGA4ESR1CNR1CNR2
SCHEMBL5998265 0.99 ESR1 (0.37) ITGB1ITGA4ESR1CNR1CNR2
SCHEMBL5996476 0.99 ESR1 (0.37) ITGB1ITGA4ESR1CNR1CNR2
SCHEMBL5997882 0.99 ESR1 (0.37) ITGB1ITGA4ESR1CNR1CNR2
SCHEMBL5995771 0.97 ESR1 (0.34) ITGB1ITGA4ESR1CNR1CNR2
SCHEMBL5996281 0.92 KDM4E (0.32) KDM4E
SCHEMBL5996140 0.89 KDM4E (0.35) TSHRCYP3A4KDM4EALDH1A1
SCHEMBL5995402 0.87 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL5993784 0.86 ESR1 (0.39) ITGB1ITGA4ESR1CNR1CNR2
SCHEMBL5995318 0.85 ESR1 (0.41) ITGB1ITGA4ESR1CNR1CNR2

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 ITGB1 1746/4885ITGA4 1993/4885ESR1 1043/4885
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 ITGB1 1859/4885ITGA4 897/4885ESR1 801/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 ITGB1 340/4885ITGA4 407/4885ESR1 634/4885

“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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