SCHEMBL5995203

SCHEMBL5995203

Cc1cc(C(C)(C)C)cc(C)c1C(=O)[P](=O)C(C)C(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ACHE P22303 1/20 0.34
SLC6A2 P23975 3/20 0.33
CHRNA1 P02708 2/20 0.33
CHRNG P07510 2/20 0.33
CHRNB1 P11230 2/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
SLC6A4 P31645 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CHRND Q07001 2/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
ALDH1A1 P00352 3/20 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
SCHEMBL5995876 0.88 ACLY (0.33) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL6402780 0.88 MEN1 (0.39) RAB9AGAAMAPTNPSR1ALDH1A1
SCHEMBL5997841 0.88 ACHE (0.36) MAPTACHEALDH1A1L3MBTL1BLM
SCHEMBL5995853 0.88 ACHE (0.36) MAPTACHEALDH1A1L3MBTL1BLM
SCHEMBL5996465 0.86 TYK2 (0.40) ALDH1A1TYK2
SCHEMBL5993538 0.86 RXRB (0.33) RAB9AACHEALDH1A1POLBRXRA
SCHEMBL5994057 0.84 ACHE (0.33) RAB9AACHEKCNJ6KCNJ5KCNJ3
SCHEMBL6818108 0.82 ACHE (0.35) NPSR1ACHECYP2C19SMN1; SMN2RAPGEF3
SCHEMBL6400246 0.82 RXRB (0.33) NPSR1L3MBTL1POLBRXRARXRB
SCHEMBL5995832 0.82 RXRB (0.33) NPSR1L3MBTL1POLBRXRARXRB

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 RAB9A 3300/4885GAA 4801/4885MAPT 4713/4885
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 RAB9A 1141/4885GAA 4108/4885MAPT 4813/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 RAB9A 2807/4885GAA 4741/4885MAPT 4467/4885

“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.