SCHEMBL5995099

SCHEMBL5995099

COC(=O)C(CC(C)C)C(=O)c1c(C)cc(C)cc1C.O=[PH3]

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 4/20 0.46
▸ TAS1R1 Q7RTX1 4/20 0.46
▸ ELANE P08246 1/20 0.40
▸ MME P08473 1/20 0.38
▸ CYP3A4 P08684 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5994858 0.88 KDM4E (0.39) TAS1R3TAS1R1CYP3A4HPGDSMN1; SMN2
SCHEMBL5997402 0.87 TAS1R3 (0.36) TAS1R3TAS1R1ELANECYP3A4HPGD
SCHEMBL5995555 0.87 TAS1R3 (0.36) TAS1R3TAS1R1ELANECYP3A4HPGD
SCHEMBL5993741 0.85 SMN1; SMN2 (0.36) TAS1R3TAS1R1ELANECYP3A4HPGD
SCHEMBL5994880 0.85 KMT2A (0.35) TAS1R3TAS1R1ELANECYP3A4HPGD
SCHEMBL5995439 0.84 TAS1R3 (0.35) TAS1R3TAS1R1ELANEKDM4EL3MBTL1
SCHEMBL5993754 0.84 TAS1R3 (0.35) TAS1R3TAS1R1ELANESMN1; SMN2ALDH1A1
SCHEMBL5998083 0.82 ESR1 (0.39) TAS1R3TAS1R1ELANEHPGDSMN1; SMN2
SCHEMBL5993784 0.81 ESR1 (0.39) CYP3A4THRBALDH1A1KDM4EMAPK1
SCHEMBL5997515 0.80 ESR1 (0.41) THRBALDH1A1

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 2690/4885ELANE 4528/4885
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 3587/4885ELANE 4803/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 TAS1R3 737/4885TAS1R1 1091/4885ELANE 3859/4885

“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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