SCHEMBL5995758

SCHEMBL5995758

CCOc1cccc(OCC)c1C(=O)P(=O)(CC(C)C)C(=O)c1c(OC)cccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GLA P06280 1/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL445527 0.94 L3MBTL1 (0.41) SMN1; SMN2KCNK3KCNK9CA9KDM4E
SCHEMBL444896 0.92 CA12 (0.49) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL5994540 0.91 SMN1; SMN2 (0.43) SMN1; SMN2KCNK3KCNK9TSHRALDH1A1
SCHEMBL5994900 0.88 TAS1R3 (0.39) SMN1; SMN2KCNK3KCNK9TSHRKDM4E
SCHEMBL5996356 0.86 PPARA (0.42) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL5994800 0.86 SMN1; SMN2 (0.51) SMN1; SMN2KCNK3KCNK9CA12CA1
SCHEMBL5996360 0.85 SMN1; SMN2 (0.42) SMN1; SMN2KCNK3KCNK9CA12CA1
SCHEMBL5997281 0.85 TAS1R3 (0.44) SMN1; SMN2KCNK3KCNK9CA12CA1
SCHEMBL5994242 0.85 TAS1R3 (0.40) KCNK3KCNK9TSHRALDH1A1KDM4E
SCHEMBL5997530 0.84 CA12 (0.41) CA12CA1CA2CA7CA9

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 8 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
CN-1198831-C Organic metal monoacylalkylphosphine compound CIBA SC HOLDING AG (CH) 2005-04-27 CN 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
CN-1329005-A Organic metal monoacylalkylphosphine compound CIBA SC HOLDING AG (CH) 2002-01-02 CN 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 3940/4885KCNK3 595/4885KCNK9 583/4885
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 1663/4885KCNK3 782/4885KCNK9 101/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 SMN1; SMN2 4099/4885KCNK3 856/4885KCNK9 572/4885

“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.