SCHEMBL4196550

SCHEMBL4196550

CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(-c3c4c(c(-c5cc(C(C)(C)C)cc6c5-c5ccc(C(C)(C)C)cc5C6(C)C)c5ccccc35)-c3ccc(B5OC(C)(C)C(C)(C)O5)c5cccc-4c35)c1-2

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PLA2G1B P04054 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATG4B Q9Y4P1 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
SCHEMBL2263873 0.82 LPL (0.31)
SCHEMBL10045640 0.82 NPC1 (0.38) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL14820964 0.81 LPL (0.33) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL1637147 0.81 NPC1 (0.37) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL15028119 0.81 NPC1 (0.37) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL2262622 0.77 HIF1A (0.31) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL12263947 0.75 NPC1 (0.38) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL21888321 0.75 KDM4E (0.33)
SCHEMBL27350800 0.74 ALDH1A1 (0.44) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL22328895 0.74 JAK2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8072137-B2 Fused heterocyclic compound and organic light emitting device CANON KABUSHIKI KAISHA (JP) 2011-12-06 US disclosed
US-20090121625-A1 FUSED HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2009-05-14 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-20090121625-A1 FUSED HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE TYR, CRY1, LAGE3 NPC1 2223/4885ALDH1A1 145/4885PLA2G1B 4139/4885

“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.