SCHEMBL5996648

SCHEMBL5996648

Cc1cc(C)c(C(=O)C(CC(C)C)C(=O)OCc2ccccc2)c(C)c1.O=[PH3]

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 3/20 0.48
▸ CTSK P43235 9/20 0.41
▸ TACR1 P25103 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ CTSL P07711 4/20 0.39
▸ CTSS P25774 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL5994369 0.87 AAK1 (0.38) CTSBTACR1ALDH1A1CTSLCTSS
SCHEMBL5995436 0.83 TDP1 (0.41) TACR1ALDH1A1CTSLCTSSNPC1
SCHEMBL5994858 0.83 KDM4E (0.39) ALDH1A1
SCHEMBL5997402 0.82 TAS1R3 (0.36) ALDH1A1
SCHEMBL5994478 0.81 CTSB (0.48) CTSBCTSKALDH1A1CTSLCTSS
SCHEMBL5995099 0.80 TAS1R3 (0.46) ALDH1A1HSD17B10
SCHEMBL7182128 0.80 TACR1 (0.43) TACR1ALDH1A1CTSLCTSSNPC1
SCHEMBL11704433 0.80 CTSB (0.63) CTSBCTSKALDH1A1HSD17B10CTSL
SCHEMBL5994880 0.80 KMT2A (0.35) ALDH1A1HSD17B10
SCHEMBL5993741 0.80 SMN1; SMN2 (0.36) ALDH1A1

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 4642/4885CTSK 4074/4885TACR1 1955/4885
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 4766/4885CTSK 4138/4885TACR1 844/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 CTSB 4588/4885CTSK 3870/4885TACR1 1712/4885

“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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