SCHEMBL21102404

SCHEMBL21102404

CC(C)(O)c1cc(Br)ccc1-c1ccccc1-c1cc2ccccc2c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PTPRC P08575 1/20 0.36
TRPM4 Q8TD43 1/20 0.35
CYP11B1 P15538 1/20 0.35
PDK2 Q15119 1/20 0.33
CYP2A6 P11509 1/20 0.33
NMUR2 Q9GZQ4 1/20 0.31
CYP1B1 Q16678 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL16340777 0.87 HPRT1 (0.39) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL16219736 0.85 AKR1C3 (0.37) MEN1KMT2ARXFP1PTPRCPDK2
SCHEMBL17852133 0.85 MEN1 (0.40) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL15450042 0.83 ALDH1A1 (0.43) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL18786467 0.81 TRPM4 (0.38) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL29549155 0.80 MEN1 (0.41) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL17841053 0.80 TRPM4 (0.42) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL18770229 0.79 TRPM4 (0.37) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL21102406 0.79 ALDH1A1 (0.42) ALDH1A1HSD17B10HPGDMAPK1PTPRC
SCHEMBL21102261 0.79 ALDH1A1 (0.42) ALDH1A1HSD17B10HPGDMAPK1PTPRC

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 1738/4885HIF1A 4804/4885HSD17B10 4567/4885

“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.