SCHEMBL5994369

SCHEMBL5994369

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 2/20 0.38
▸ TACR1 P25103 1/20 0.37
▸ CTSB P07858 2/20 0.37
▸ CTSS P25774 2/20 0.37
▸ CTSL P07711 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ OPRK1 P41145 3/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CASP3 P42574 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ABCC3 O15438 1/20 0.33
▸ NR1I2 O75469 1/20 0.33

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
SCHEMBL5996648 0.87 CTSB (0.48) TACR1CTSBCTSSCTSLALDH1A1
SCHEMBL5996140 0.85 KDM4E (0.35) ALDH1A1CYP3A4
SCHEMBL5996492 0.83 KDM4E (0.31) —
SCHEMBL5993754 0.83 TAS1R3 (0.35) ALDH1A1
SCHEMBL5995344 0.83 CA1 (0.41) CTSBCTSSCTSLALDH1A1NPC1
SCHEMBL5996281 0.82 KDM4E (0.32) —
SCHEMBL5993830 0.82 KDM4E (0.32) —
SCHEMBL5995402 0.81 KDM4E (0.31) ALDH1A1
SCHEMBL5995771 0.81 ESR1 (0.34) ALDH1A1NPC1RAB9AMAPTCYP1A2
SCHEMBL5993768 0.80 ITGB1 (0.35) ALDH1A1LMNACYP3A4CNR1

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 AAK1 3933/4885TACR1 1955/4885CTSB 4642/4885
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 AAK1 3593/4885TACR1 844/4885CTSB 4766/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 AAK1 3783/4885TACR1 1712/4885CTSB 4588/4885

“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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