SCHEMBL5993536

SCHEMBL5993536

Cc1cc(C(C)(C)C)cc(C)c1C(=O)CC[PH](=O)C(=O)c1c(C)cc(C(C)(C)C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.36
HTR1B P28222 1/20 0.36
RXRB P28702 3/20 0.34
RXRA P19793 2/20 0.34
RXRG P48443 1/20 0.34
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
ELANE P08246 1/20 0.32
CD69 Q07108 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACHE P22303 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL5996440 0.96 KDM4E (0.35) HTR1DHTR1BRXRBRXRARXRG
SCHEMBL5995828 0.96 KDM4E (0.35) HTR1DHTR1BRXRBRXRARXRG
SCHEMBL5995848 0.93 ACHE (0.35) HTR1DHTR1BRXRBRXRARXRG
SCHEMBL5997838 0.93 ACHE (0.35) HTR1DHTR1BRXRBRXRARXRG
SCHEMBL5995871 0.88 ACLY (0.33) HTR1DHTR1BTHRB
SCHEMBL5994053 0.87 ACHE (0.33) HTR1DHTR1BRXRBRXRARXRG
SCHEMBL5995199 0.87 RAB9A (0.36) RXRBRXRARXRGRAB9AALDH1A1
SCHEMBL5996052 0.86 CNR2 (0.33) ALDH1A1TSHRMAPTPOLB
SCHEMBL5996233 0.85 CYP2D6 (0.42) ALDH1A1HPGDTDP1
SCHEMBL5995234 0.85 ACHE (0.35) RXRBRXRARXRGTDP1ACHE

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 HTR1D 412/4885HTR1B 946/4885RXRB 550/4885
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 HTR1D 1213/4885HTR1B 2334/4885RXRB 2536/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 HTR1D 93/4885HTR1B 344/4885RXRB 1585/4885

“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.