SCHEMBL5997949

SCHEMBL5997949

CCCCC(C(=O)OC)C(=O)c1c(C)cc(C)cc1C.O=[PH3]

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ZDHHC7 Q9NXF8 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ TAS1R3 Q7RTX0 3/20 0.34
▸ TAS1R1 Q7RTX1 3/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NLRP3 Q96P20 1/20 0.34

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
SCHEMBL5995189 0.90 MEN1 (0.43) ITGB1ITGA4SMN1; SMN2KDM4ECYP3A4
SCHEMBL5994869 0.88 MEN1 (0.42) ITGB1ITGA4SMN1; SMN2KDM4EHPGD
SCHEMBL5996441 0.88 MEN1 (0.39) ITGB1ITGA4SMN1; SMN2KDM4ECYP3A4
SCHEMBL5995413 0.86 ESR1 (0.41) ITGB1ITGA4CYP3A4TDP1MEN1
SCHEMBL5995476 0.86 KDM4E (0.34) ITGB1ITGA4SMN1; SMN2KDM4EHPGD
SCHEMBL5997598 0.85 MEN1 (0.35) CA2ITGB1ITGA4SMN1; SMN2KDM4E
SCHEMBL5997355 0.85 ESR1 (0.43) ITGB1ITGA4MEN1KMT2A
SCHEMBL5998039 0.85 ESR1 (0.43) ITGB1ITGA4MEN1KMT2A
SCHEMBL5996942 0.85 ESR1 (0.43) ITGB1ITGA4MEN1KMT2A
SCHEMBL5994884 0.85 ESR1 (0.43) ITGB1ITGA4MEN1KMT2A

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 CA1 3491/4885CA2 2861/4885ITGB1 1746/4885
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 CA1 3732/4885CA2 2987/4885ITGB1 1859/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 CA1 3448/4885CA2 3313/4885ITGB1 340/4885

“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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