SCHEMBL5998083

SCHEMBL5998083

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.39
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ CNR1 P21554 2/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 4/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TAS1R3 Q7RTX0 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
SCHEMBL5993784 0.96 ESR1 (0.39) ESR1ITGB1ITGA4CNR1CNR2
SCHEMBL5995318 0.95 ESR1 (0.41) ESR1ITGB1ITGA4CNR1CNR2
SCHEMBL5995787 0.95 ESR1 (0.41) ESR1ITGB1ITGA4CNR1CNR2
SCHEMBL5997515 0.95 ESR1 (0.41) ESR1ITGB1ITGA4CNR1CNR2
SCHEMBL5997594 0.95 ESR1 (0.41) ESR1ITGB1ITGA4CNR1CNR2
SCHEMBL5993741 0.92 SMN1; SMN2 (0.36) ITGB1ITGA4MEN1KMT2AHPGD
SCHEMBL5994858 0.88 KDM4E (0.39) MEN1KMT2AHPGDSMN1; SMN2CYP1A2
SCHEMBL5994869 0.87 MEN1 (0.42) ESR1ITGB1ITGA4CNR1CNR2
SCHEMBL5994880 0.87 KMT2A (0.35) MEN1KMT2AHPGDSMN1; SMN2KDM4E
SCHEMBL5995771 0.86 ESR1 (0.34) ESR1ITGB1ITGA4CNR1CNR2

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

“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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