SCHEMBL5995908

SCHEMBL5995908

Cc1cccc(C)c1C(=O)[PH](=O)CCC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CTNNB1 P35222 2/20 0.34
WNT3A P56704 2/20 0.34
CTSS P25774 2/20 0.33
CTSA P10619 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ITGA4 P13612 3/20 0.32
RORC P51449 2/20 0.32
ALOX12 P18054 1/20 0.32
TAS2R14 Q9NYV8 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
SCHEMBL5994378 0.91 SMN1; SMN2 (0.38) ALDH1A1NPSR1MEN1KMT2ACTNNB1
SCHEMBL5995234 0.89 ACHE (0.35) TDP1CTNNB1WNT3ACTSSFFAR1
SCHEMBL5997688 0.83 ATM (0.40) KDM4EATMMEN1KMT2ACTNNB1
SCHEMBL6448654 0.79 MRGPRX4 (0.40) ALDH1A1KDM4EGAAATMNPSR1
SCHEMBL5997924 0.79 MAPT (0.36) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL5996459 0.79 FEN1 (0.41) ALDH1A1KMT2AITGA4RORCITGB1
SCHEMBL5997542 0.79 MAPT (0.36) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL5995888 0.79 GABRA1 (0.34) ALDH1A1ATMTDP1MEN1KMT2A
SCHEMBL5995848 0.78 ACHE (0.35) ALDH1A1TDP1MAPT
SCHEMBL5997838 0.78 ACHE (0.35) ALDH1A1TDP1MAPT

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 ALDH1A1 974/4885KDM4E 3308/4885GAA 4801/4885
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 ALDH1A1 1088/4885KDM4E 662/4885GAA 4108/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 ALDH1A1 835/4885KDM4E 2655/4885GAA 4741/4885

“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.