SCHEMBL21102410

SCHEMBL21102410

CC(C)(O)c1cc(Br)ccc1-c1ccccc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 3/20 0.41
PTPRC P08575 1/20 0.38
SLC6A3 Q01959 1/20 0.37
LMNA P02545 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
NPC1 O15118 1/20 0.37
THRB P10828 1/20 0.37
XBP1 P17861 1/20 0.37
PTBP1 P26599 1/20 0.37
RAB9A P51151 1/20 0.37
GALK1 P51570 1/20 0.37
BLM P54132 1/20 0.37
SMAD3 P84022 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL21102261 0.97 ALDH1A1 (0.42) ALDH1A1MAPK1PTPRCSLC6A3LMNA
SCHEMBL21102406 0.97 ALDH1A1 (0.42) ALDH1A1MAPK1PTPRCSLC6A3LMNA
SCHEMBL21102393 0.93 ALDH1A1 (0.40) ALDH1A1MAPK1SLC6A3LMNANPSR1
SCHEMBL21102400 0.84 ALDH1A1 (0.39) ALDH1A1MAPK1PTPRCLMNAMAPT
SCHEMBL14178382 0.82 PTGDR2 (0.35) ALDH1A1MAPK1SLC6A3MEN1KMT2A
SCHEMBL21102398 0.80 PTPRC (0.39) ALDH1A1MAPK1PTPRCLMNANPSR1
SCHEMBL21102403 0.79 GPR84 (0.35) ALDH1A1PTPRCMAPTMEN1NPC1
SCHEMBL16585739 0.79 PTGDR2 (0.43) ALDH1A1MAPK1PTPRCLMNANPSR1
SCHEMBL31497075 0.78 PGR (0.44) ALDH1A1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL21102262 0.78 SMN1; SMN2 (0.39) MAPK1PTPRCMAPTMEN1KMT2A

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-20200308129-A1 SUBSTITUTED AROMATIC AMINES FOR USE IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-01 US disclosed
WO-2019115577-A1 SUBSTITUTED AROMATIC AMINES FOR USE IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-06-20 WO 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-20200308129-A1 SUBSTITUTED AROMATIC AMINES FOR USE IN ORGANIC ELECTROLUMINESCENT DEVICES DDC, CHRM5, AFF2 ALDH1A1 1738/4885MAPK1 3334/4885PTPRC 4475/4885

“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.