SCHEMBL21097241

SCHEMBL21097241

c1ccc2c(-c3ccc(-c4ccc(N(c5cccc6c5sc5ccccc56)c5cccc6c5sc5ccccc56)cc4)cc3)cccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
F9 P00740 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PARP14 Q460N5 1/20 0.35
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
PPARG P37231 7/20 0.33
PPARA Q07869 7/20 0.33
GPR3 P46089 1/20 0.33
PRKDC P78527 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33

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
SCHEMBL21097240 1.00 ALOX5 (0.43) ALOX5CA12CA1CA2CA9
SCHEMBL21096880 0.99 ALOX5 (0.44) ALOX5CA12CA1CA2CA9
SCHEMBL26759871 0.95 F9 (0.41) ALOX5CA12CA1CA2CA9
SCHEMBL21096866 0.95 ALOX5 (0.44) ALOX5CA12CA1CA2CA9
SCHEMBL21096941 0.94 ALOX5 (0.44) ALOX5CA12CA1CA2CA9
SCHEMBL23232890 0.94 ALOX5 (0.43) ALOX5CA12CA1CA2CA9
SCHEMBL24887441 0.94 ALOX5 (0.40) ALOX5CA12CA1CA2CA9
SCHEMBL21096886 0.94 ALOX5 (0.43) ALOX5CA12CA1CA2CA9
SCHEMBL21206106 0.94 F9 (0.42) ALOX5CA12CA1CA2CA9
SCHEMBL24888818 0.93 ALOX5 (0.40) ALOX5CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190189950-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND AMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-06-20 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-20190189950-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND AMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE ODC1, PNMT, AOC2 ALOX5 1909/4885CA12 3756/4885CA1 3339/4885

“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.