SCHEMBL5995555

SCHEMBL5995555

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.36
▸ TAS1R1 Q7RTX1 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ELANE P08246 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MCOLN3 Q8TDD5 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ FOLH1 Q04609 1/20 0.30

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
SCHEMBL5995099 0.87 TAS1R3 (0.46) TAS1R3TAS1R1KDM4EELANEHPGD
SCHEMBL5994858 0.87 KDM4E (0.39) TAS1R3TAS1R1KDM4EHPGDNPSR1
SCHEMBL5997402 0.86 TAS1R3 (0.36) TAS1R3TAS1R1KDM4EELANEHPGD
SCHEMBL5993830 0.84 KDM4E (0.32) KDM4EL3MBTL1
SCHEMBL5993741 0.83 SMN1; SMN2 (0.36) TAS1R3TAS1R1KDM4EELANEHPGD
SCHEMBL5994880 0.83 KMT2A (0.35) TAS1R3TAS1R1KDM4EELANEHPGD
SCHEMBL5995476 0.82 KDM4E (0.34) KDM4EHPGDNPSR1MCOLN3SMN1; SMN2
SCHEMBL5998083 0.81 ESR1 (0.39) TAS1R3TAS1R1KDM4EELANEHPGD
SCHEMBL5993784 0.80 ESR1 (0.39) KDM4ECYP3A4ALDH1A1MAPK1THRB
SCHEMBL5995439 0.80 TAS1R3 (0.35) TAS1R3TAS1R1KDM4EELANEL3MBTL1

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 TAS1R3 2305/4885TAS1R1 2690/4885KDM4E 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 TAS1R3 3748/4885TAS1R1 3587/4885KDM4E 662/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 TAS1R3 737/4885TAS1R1 1091/4885KDM4E 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.

Send feedback