SCHEMBL21102413

SCHEMBL21102413

Clc1ccc(-c2ccccc2-c2ccccc2)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 2/20 0.48
S100A4 P26447 2/20 0.46
CYP2A6 P11509 1/20 0.43
CYP1A2 P05177 1/20 0.41
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
KMT2A Q03164 2/20 0.40
GPR3 P46089 1/20 0.40
MEN1 O00255 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL21102583 0.96 CYP1A2 (0.48) ALDH1A1MAPK1S100A4CYP2A6CYP1A2
SCHEMBL571071 0.90 ALDH1A1 (0.54) ALDH1A1MAPK1S100A4CYP2A6CYP1A2
SCHEMBL21207790 0.87 CYP1A2 (0.52) ALDH1A1MAPK1S100A4CYP2A6CYP1A2
SCHEMBL30223349 0.87 ALDH1A1 (0.57) ALDH1A1MAPK1S100A4CYP2A6CYP1A2
SCHEMBL20023629 0.86 CYP1A2 (0.54) ALDH1A1MAPK1S100A4CYP2A6CYP1A2
SCHEMBL31465791 0.86 S100A4 (0.50) ALDH1A1MAPK1S100A4CYP2A6KMT2A
SCHEMBL25962009 0.85 ALDH1A1 (0.54) ALDH1A1MAPK1S100A4CYP2A6CYP1A2
SCHEMBL26668634 0.84 CYP2A6 (0.44) ALDH1A1MAPK1CYP2A6CYP1A2PTGS2
SCHEMBL31677417 0.84 S100A4 (0.57) ALDH1A1S100A4CYP2A6CYP1A2PTGS2
SCHEMBL31677416 0.84 S100A4 (0.57) ALDH1A1MAPK1S100A4CYP2A6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466701-A Preparation method of organic luminescent material intermediate 2-chlorobenzo [9,10] phenanthrene 奥盖尼克材料(苏州)有限公司 2024-01-30 CN disclosed
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 3334/4885S100A4 1134/4885

“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.