SCHEMBL5995585

SCHEMBL5995585

Cc1cc(C(C)(C)C)cc(C)c1C(=O)P(=O)(CC(C)C)C(=O)c1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.35
TRPA1 O75762 2/20 0.34
CTSS P25774 2/20 0.33
GAA P10253 1/20 0.33
ACHE P22303 3/20 0.33
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
P2RX1 P51575 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL5994347 0.90 LMNA (0.40) NPSR1TRPA1CTSSGAAKCNK3
SCHEMBL5993896 0.89 CTSS (0.36) NPSR1TRPA1CTSSGAAKCNK3
SCHEMBL5994250 0.89 NPSR1 (0.33) NPSR1TRPA1CTSSGAAACHE
SCHEMBL5995483 0.87 SMN1; SMN2 (0.35) GAAACHEKCNK3CTSLSMN1; SMN2
SCHEMBL6818101 0.86 ACHE (0.38) TRPA1CTSSGAAACHEKCNK3
SCHEMBL5994287 0.86 HMGCR (0.35) CTSLALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL5997721 0.83 KMT2A (0.33) GAAACHEKCNK3TAS1R3TAS1R1
SCHEMBL5994380 0.83 GAA (0.38) NPSR1GAAHDAC8CTSLALDH1A1
SCHEMBL5995479 0.82 PLK1 (0.37) TRPA1CTSSACHETAS1R3TAS1R1
SCHEMBL5995631 0.82 CTSS (0.37) NPSR1CTSSGAAACHETAS1R3

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 NPSR1 715/4885TRPA1 1550/4885CTSS 4021/4885
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 NPSR1 2280/4885TRPA1 700/4885CTSS 3775/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 NPSR1 505/4885TRPA1 790/4885CTSS 3803/4885

“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.