SCHEMBL546404

SCHEMBL546404

Cc1ccc2c(c1)-c1ccc(C(C)(C)C)cc1C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
METAP1 P53582 2/20 0.42
MAPT P10636 5/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 4/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
PLA2G1B P04054 1/20 0.37
NFKB1 P19838 1/20 0.37
CASP3 P42574 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
CYP19A1 P11511 2/20 0.36
CYP11B2 P19099 2/20 0.36

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
SCHEMBL33527682 0.93 TSHR (0.46) TSHRMETAP1MAPTMEN1KMT2A
SCHEMBL29459210 0.87 ALDH1A1 (0.45) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL40372 0.87 ALDH1A1 (0.45) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL6552336 0.85 ALDH1A1 (0.44) TSHRMAPTMEN1KMT2AALDH1A1
Lithium SCHEMBL6552341 0.85 ALDH1A1 (0.44) TSHRMAPTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL28338025 0.83 ALDH1A1 (0.42) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL21694418 0.82 METAP1 (0.52) METAP1MAPTMEN1KMT2AALDH1A1
SCHEMBL311978 0.82 ALDH1A1 (0.45) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL29471001 0.82 ALDH1A1 (0.45) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL868504 0.81 ALDH1A1 (0.53) TSHRMAPTALDH1A1RAB9ANPC1

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-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

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 TSHR 2376/4885METAP1 1845/4885MAPT 917/4885

“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.