SCHEMBL5997598

SCHEMBL5997598

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ TDP1 Q9NUW8 4/20 0.33
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ TSHR P16473 3/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CTSL P07711 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HPGD P15428 1/20 0.31

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 0.89 MEN1 (0.43) MEN1KMT2AKDM4ETDP1ITGB1
SCHEMBL5997112 0.89 KMT2A (0.36) MEN1KMT2AKDM4ETDP1ITGB1
SCHEMBL5994869 0.87 MEN1 (0.42) MEN1KMT2AKDM4ETDP1ITGB1
SCHEMBL5996441 0.87 MEN1 (0.39) MEN1KMT2AKDM4ETDP1ITGB1
SCHEMBL5995413 0.86 ESR1 (0.41) MEN1KMT2ATDP1ITGB1ITGA4
SCHEMBL5995476 0.86 KDM4E (0.34) MEN1KMT2AKDM4ETDP1ITGB1
SCHEMBL5997949 0.85 CA1 (0.41) MEN1KMT2AKDM4ETDP1ITGB1
SCHEMBL5998039 0.85 ESR1 (0.43) MEN1KMT2AITGB1ITGA4ALDH1A1
SCHEMBL5997355 0.85 ESR1 (0.43) MEN1KMT2AITGB1ITGA4ALDH1A1
SCHEMBL5996942 0.85 ESR1 (0.43) MEN1KMT2AITGB1ITGA4ALDH1A1

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 MEN1 3862/4885KMT2A 1784/4885KDM4E 3308/4885
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 MEN1 2456/4885KMT2A 761/4885KDM4E 662/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 MEN1 3695/4885KMT2A 1577/4885KDM4E 2655/4885

“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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