SCHEMBL21102402

SCHEMBL21102402

CC(C)(O)c1cc(Br)ccc1-c1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc3c2oc2ccccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.48
GGPS1 O95749 1/20 0.44
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
NMUR2 Q9GZQ4 2/20 0.39
PTGES2 Q9H7Z7 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
CDC14B O60729 2/20 0.36
CDC14A Q9UNH5 2/20 0.36
PRKDC P78527 4/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 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
SCHEMBL19195961 0.91 ALOX5 (0.52) ALOX5GGPS1MEN1CYP2C19KMT2A
SCHEMBL21102409 0.83 ALOX5 (0.48) ALOX5GGPS1MEN1CYP2C19KMT2A
SCHEMBL19195568 0.81 HSP90AA1 (0.42) ALOX5MEN1CYP2C19KMT2ANMUR2
SCHEMBL26469935 0.81 NMUR2 (0.41) ALOX5MEN1KMT2ANMUR2GABRP
SCHEMBL20205297 0.81 ALOX5 (0.56) ALOX5GGPS1MEN1CYP2C19KMT2A
SCHEMBL19132014 0.80 NMUR2 (0.41) ALOX5MEN1CYP2C19KMT2ANMUR2
SCHEMBL17806984 0.79 ALOX5 (0.59) ALOX5GGPS1PTGES2HDAC8PRKDC
SCHEMBL21902338 0.78 ALOX5 (0.46) ALOX5GGPS1MEN1CYP2C19KMT2A
SCHEMBL24941667 0.78 ALOX5 (0.58) ALOX5GGPS1PTGES2HDAC8PRKDC
SCHEMBL19199971 0.78 ALOX5 (0.53) ALOX5GGPS1MEN1CYP2C19KMT2A

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 ALOX5 2670/4885GGPS1 2850/4885MEN1 1725/4885

“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.