SCHEMBL1885693

SCHEMBL1885693

CC(C)(C)[Si](C)(C)Oc1ccc2c(=O)c3cc4c(=O)c5ccc(O[Si](C)(C)C(C)(C)C)cc5c(=O)c4cc3c(=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.53
CA1 P00915 4/20 0.53
CA9 Q16790 4/20 0.53
PREP P48147 4/20 0.43
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
CASP3 P42574 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAOB P27338 1/20 0.36
POLB P06746 2/20 0.35
MAOA P21397 2/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL1884168 1.00 CA12 (0.53) CA12CA1CA9PREPNPC1
SCHEMBL840971 0.83 CA1 (0.61) CA12CA1CA9PREPNPC1
SCHEMBL30043665 0.83 CA1 (0.61) CA12CA1CA9PREPNPC1
SCHEMBL12909293 0.77 CA12 (0.55) CA12CA1CA9PREPNPC1
SCHEMBL8677800 0.77 MAOA (0.65) CA12CA1CA9NPC1RAB9A
SCHEMBL29853363 0.76 MAPT (0.63) CA12CA1CA9NPC1RAB9A
SCHEMBL26781086 0.76 MAPT (0.63) CA12CA1CA9NPC1RAB9A
SCHEMBL6763899 0.74 PREP (0.53) CA12CA1CA9PREPKDM4E
SCHEMBL4938350 0.74 CA12 (0.54) CA12CA1CA9PREPNPC1
SCHEMBL26768877 0.72 MAPT (0.50) CA12CA1CA9PREPNPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935836-B2 Compounds comprising a linear series of five fused carbon rings, and preparation thereof FALLIS ALEXANDER GRAHAM 2011-05-03 US disclosed
US-7655809-B2 Compounds comprising a linear series of five fused carbon rings, and preparation thereof UNIVERSITY OF OTTAWA (CA) 2010-02-02 US disclosed
US-20100004467-A1 COMPOUNDS COMPRISING A LINEAR SERIES OF FIVE FUSED CARBON RINGS, AND PREPARATION THEREOF FALLIS ALEXANDER GRAHAM 2010-01-07 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 (1 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-20100004467-A1 COMPOUNDS COMPRISING A LINEAR SERIES OF FIVE FUSED CARBON RINGS, AND PREPARATION THEREOF JUP, CDH1, EML4 CA12 926/4885CA1 1324/4885CA9 1102/4885

“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.