SCHEMBL5997112

SCHEMBL5997112

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ TDP1 Q9NUW8 4/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ ITGB1 P05556 1/20 0.34
▸ ITGA4 P13612 1/20 0.34
▸ L3MBTL1 Q9Y468 4/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32

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
SCHEMBL5996441 0.91 MEN1 (0.39) KMT2AMEN1TDP1ITGB1ITGA4
SCHEMBL5994869 0.91 MEN1 (0.42) KMT2AMEN1TDP1ITGB1ITGA4
SCHEMBL5995413 0.90 ESR1 (0.41) KMT2AMEN1TDP1ITGB1ITGA4
SCHEMBL5998039 0.89 ESR1 (0.43) KMT2AMEN1ITGB1ITGA4ALDH1A1
SCHEMBL5996942 0.89 ESR1 (0.43) KMT2AMEN1ITGB1ITGA4ALDH1A1
SCHEMBL5997355 0.89 ESR1 (0.43) KMT2AMEN1ITGB1ITGA4ALDH1A1
SCHEMBL5994884 0.89 ESR1 (0.43) KMT2AMEN1ITGB1ITGA4ALDH1A1
SCHEMBL5997598 0.89 MEN1 (0.35) KMT2AMEN1TDP1ITGB1ITGA4
SCHEMBL5995189 0.88 MEN1 (0.43) KMT2AMEN1TDP1ITGB1ITGA4
SCHEMBL5994880 0.86 KMT2A (0.35) KMT2AMEN1TDP1PPARGL3MBTL1

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 KMT2A 1784/4885MEN1 3862/4885TDP1 4368/4885
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 KMT2A 761/4885MEN1 2456/4885TDP1 4835/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 KMT2A 1577/4885MEN1 3695/4885TDP1 4201/4885

“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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