SCHEMBL545981

SCHEMBL545981

COc1ccc(-c2cc3c(cc2C)-c2cc(C)c(Br)cc2C3(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH3 Q96Q83 1/20 0.38
MAOB P27338 2/20 0.38
ABL1 P00519 1/20 0.37
ABCB1 P08183 1/20 0.37
BCR P11274 1/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ACHE P22303 1/20 0.35
PTGS2 P35354 1/20 0.35
BACE1 P56817 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL10025100 0.90 ABL1 (0.42) ABL1ABCB1BCRMAPTTP53
SCHEMBL10025101 0.79 PDK2 (0.47) ALKBH3ABL1ABCB1BCRMAPT
SCHEMBL10025088 0.79 SMN1; SMN2 (0.39) MAPTRXRARXRBRXRGNPC1
SCHEMBL24352012 0.78 RXRA (0.40) MAOBRXRARXRBRXRGNPC1
SCHEMBL545862 0.78 BCHE (0.47) ALDH1A1
SCHEMBL24352183 0.77 ALDH1A1 (0.43) MAOBMAPTRXRARXRBRXRG
SCHEMBL546793 0.77 SNCA (0.36) MAOBABL1ABCB1BCRMAPT
SCHEMBL4586331 0.76 PDK2 (0.41) RXRARXRBRXRG
SCHEMBL24860577 0.73 ABL1 (0.47) ALKBH3MAOBABL1ABCB1BCR
SCHEMBL546245 0.70 PDK2 (0.39) MAOBMAPTRAB9AALDH1A1SMN1; SMN2

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 ALKBH3 3307/4885MAOB 924/4885ABL1 2406/4885

“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.