SCHEMBL546567

SCHEMBL546567

Cc1cc2c(cc1Br)Cc1cc(C(C)(C)C)ccc1-2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
PGR P06401 1/20 0.33
MAPT P10636 2/20 0.32
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL40372 0.82 ALDH1A1 (0.45) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL29459210 0.82 ALDH1A1 (0.45) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL6552336 0.80 ALDH1A1 (0.44) ALDH1A1NPC1RAB9APLA2G1BNFKB1
Lithium SCHEMBL6552341 0.80 ALDH1A1 (0.44) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL546799 0.80 BCHE (0.39) NPC1RAB9AL3MBTL1PGRMAPT
SCHEMBL23466807 0.80 METAP1 (0.43) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL21132350 0.80 PGR (0.49) NPC1RAB9APGRMAPTADRA2A
Hydrochloric Acid SCHEMBL28338025 0.79 ALDH1A1 (0.42) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL546404 0.78 TSHR (0.43) ALDH1A1NPC1RAB9APLA2G1BNFKB1
SCHEMBL33527682 0.78 TSHR (0.46) ALDH1A1NPC1RAB9APLA2G1BNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110294-B2 Fluorene compound; steric hindrance CANON KABUSHIKI KAISHA (JP) 2012-02-07 US disclosed
US-8110294-B2 Fluorene compound; steric hindrance CANON KABUSHIKI KAISHA (JP) 2012-02-07 US disclosed
US-20080200736-A1 MATERIAL FOR ORGANIC LIGHT-EMITTING ELEMENT AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2008-08-21 US disclosed
US-20080200736-A1 MATERIAL FOR ORGANIC LIGHT-EMITTING ELEMENT AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2008-08-21 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-20080200736-A1 MATERIAL FOR ORGANIC LIGHT-EMITTING ELEMENT AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING THE SAME LEF1, FMNL1, AFF1 ALDH1A1 319/4885NPC1 1155/4885RAB9A 1297/4885

“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.