SCHEMBL5994381

SCHEMBL5994381

Cc1cc(C)c(C(=O)[P](=O)C(C)C(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.33
ALOX12 P18054 2/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
NFKB1 P19838 1/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
MAOB P27338 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
SCHEMBL5995913 0.91 ITGB1 (0.33) SMN1; SMN2ALDH1A1ALOX12NPSR1NFKB1
SCHEMBL6818108 0.90 ACHE (0.35) SMN1; SMN2LMNAHTTMEN1CYP1A2
SCHEMBL5997547 0.84 HPGD (0.37) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL6402169 0.84 HPGD (0.37) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL6402780 0.80 MEN1 (0.39) LMNAMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL6448662 0.79 LMNA (0.40) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL6398273 0.79 HPGD (0.34) SMN1; SMN2LMNAMEN1KMT2AHPGD
SCHEMBL5995832 0.77 RXRB (0.33) HPGDNPSR1MCOLN3
SCHEMBL6400246 0.77 RXRB (0.33) HPGDNPSR1MCOLN3
SCHEMBL5997093 0.75 CA12 (0.41) MEN1CYP1A2CYP3A4CYP2C19KMT2A

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 SMN1; SMN2 3940/4885LMNA 763/4885HTT 2638/4885
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 SMN1; SMN2 1663/4885LMNA 975/4885HTT 2818/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 SMN1; SMN2 4099/4885LMNA 848/4885HTT 2895/4885

“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.