SCHEMBL5996902

SCHEMBL5996902

CCc1cccc(CC)c1C(=O)P(=O)(CC)C(=O)c1c(OC)cc(OC)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
CYP3A4 P08684 3/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
ABCG2 Q9UNQ0 3/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
PKM P14618 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
CALM1 P0DP23 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
NFKB1 P19838 1/20 0.39
DPP4 P27487 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL5994328 0.90 MAPT (0.50) KMT2AMEN1TSHRCYP3A4USP2
SCHEMBL5997927 0.90 CA12 (0.46) TSHRSMN1; SMN2MAPTHPGDALDH1A1
SCHEMBL5994441 0.89 GAA (0.39) KMT2AMEN1TSHRCYP3A4USP2
SCHEMBL5994436 0.89 PPARA (0.41) KMT2AMEN1TSHRCYP3A4USP2
SCHEMBL5996374 0.86 TAS1R3 (0.44) KMT2ACYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL5997023 0.85 SMN1; SMN2 (0.47) TSHRCYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL5997245 0.85 ABCG2 (0.44) KMT2AMEN1CYP3A4USP2MAPK1
SCHEMBL7177190 0.84 HTT (0.42) KMT2AMEN1TSHRCYP3A4USP2
SCHEMBL5997928 0.83 ALDH1A1 (0.37) KMT2AMEN1TSHRCYP3A4USP2
SCHEMBL5994546 0.83 GAA (0.35) KMT2AMEN1TSHRCYP3A4USP2

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 KMT2A 1784/4885MEN1 3862/4885TSHR 1096/4885
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 KMT2A 761/4885MEN1 2456/4885TSHR 4029/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 KMT2A 1577/4885MEN1 3695/4885TSHR 1670/4885

“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.