SCHEMBL5994880

SCHEMBL5994880

Cc1cc(C)c(C(=O)C(CC(C)C)C(=O)OCCC(C)C)c(C)c1.O=[PH3]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ MCOLN3 Q8TDD5 1/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ PPARG P37231 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ THRA P10827 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
SCHEMBL5993741 0.89 SMN1; SMN2 (0.36) KMT2AKDM4EALDH1A1TAS1R3TAS1R1
SCHEMBL5994858 0.87 KDM4E (0.39) KMT2AKDM4EALDH1A1TAS1R3TAS1R1
SCHEMBL5998083 0.87 ESR1 (0.39) KMT2AKDM4EALDH1A1TAS1R3TAS1R1
SCHEMBL5995402 0.87 KDM4E (0.31) KMT2AKDM4EPKMALDH1A1GAA
SCHEMBL5997402 0.86 TAS1R3 (0.36) KDM4EALDH1A1TAS1R3TAS1R1L3MBTL1
SCHEMBL5993784 0.86 ESR1 (0.39) KDM4EALDH1A1MAPK1LMNATHRA
SCHEMBL5997112 0.86 KMT2A (0.36) KMT2AKDM4EPKMALDH1A1GAA
SCHEMBL5995318 0.85 ESR1 (0.41) ALDH1A1LMNATHRATHRB
SCHEMBL5997515 0.85 ESR1 (0.41) ALDH1A1LMNATHRATHRB
SCHEMBL5997594 0.85 ESR1 (0.41) ALDH1A1LMNATHRATHRB

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 1784/4885KDM4E 3308/4885PKM 4644/4885
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 761/4885KDM4E 662/4885PKM 4235/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 KMT2A 1577/4885KDM4E 2655/4885PKM 4829/4885

“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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