SCHEMBL5996506

SCHEMBL5996506

CCOC(=O)C(CC(C)C)C(=O)c1c(OC)cccc1OC.O=[PH3]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.44
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ PLIN1 O60240 1/20 0.38

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
SCHEMBL5994650 0.90 CA12 (0.40) TSHRCA12CA1CA2CA7
SCHEMBL5998151 0.89 CA12 (0.41) TSHRCA12CA1CA2CA7
SCHEMBL5994774 0.89 CA12 (0.44) TSHRCA12CA1CA2CA7
SCHEMBL5994284 0.87 PPARA (0.41) TSHRCA12CA1CA2CA7
SCHEMBL5998017 0.87 KDM4E (0.42) TSHRCA12CA1CA2CA7
SCHEMBL5997998 0.86 CA12 (0.41) TSHRCA12CA1CA2CA7
SCHEMBL5994404 0.86 PPARA (0.43) TSHRCA12CA1CA2CA7
SCHEMBL5997226 0.85 PPARA (0.45) TSHRALDH1A1LMNA
SCHEMBL5996986 0.85 PPARA (0.45) TSHRALDH1A1LMNA
SCHEMBL5997321 0.85 PPARA (0.45) TSHRALDH1A1LMNA

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 TSHR 1096/4885CA12 2616/4885CA1 3491/4885
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 TSHR 4029/4885CA12 1833/4885CA1 3732/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 TSHR 1670/4885CA12 1863/4885CA1 3448/4885

“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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