SCHEMBL5994478

SCHEMBL5994478

COc1cccc(OC)c1C(=O)C(CC(C)C)C(=O)OCc1ccccc1.O=[PH3]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 2/20 0.48
▸ CA1 P00915 3/20 0.45
▸ CA2 P00918 3/20 0.45
▸ ACHE P22303 2/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.42
▸ CTSK P43235 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ AAK1 Q2M2I8 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CTSS P25774 1/20 0.39

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
SCHEMBL5995344 0.87 CA1 (0.41) CTSBCA1CA2ACHETAAR1
SCHEMBL5996506 0.85 TSHR (0.44) CA1CA2CA12CA7CA9
SCHEMBL5998151 0.85 CA12 (0.41) CA1CA2CA12CA7CA9
SCHEMBL5994774 0.84 CA12 (0.44) CA1CA2TAAR1CA12CA7
SCHEMBL5995849 0.83 PPARA (0.43) CA1CA2ACHETAAR1CA12
SCHEMBL5998017 0.82 KDM4E (0.42) CA1CA2CA12CA7CA9
SCHEMBL5994650 0.82 CA12 (0.40) CA1CA2CA12CA7CA9
SCHEMBL5997998 0.82 CA12 (0.41) CA1CA2TAAR1CA12CA7
SCHEMBL5994284 0.81 PPARA (0.41) CA1CA2CA12CA7CA9
SCHEMBL5996648 0.81 CTSB (0.48) CTSBCTSKALDH1A1CTSLNPC1

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 CTSB 4642/4885CA1 3491/4885CA2 2861/4885
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 CTSB 4766/4885CA1 3732/4885CA2 2987/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 CTSB 4588/4885CA1 3448/4885CA2 3313/4885

“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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