SCHEMBL21096887

SCHEMBL21096887

c1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4sc4ccccc45)cccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
F9 P00740 1/20 0.40
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
LIMK1 P53667 1/20 0.36
PARP14 Q460N5 1/20 0.35
PPARG P37231 7/20 0.33
PPARA Q07869 7/20 0.33
TNF P01375 1/20 0.33
PRKDC P78527 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MCL1 Q07820 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
PPARD Q03181 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL21096941 0.99 ALOX5 (0.44) ALOX5F9CA12CA1CA2
SCHEMBL21096866 0.95 ALOX5 (0.44) ALOX5F9CA12CA1CA2
SCHEMBL21096886 0.94 ALOX5 (0.43) ALOX5F9CA12CA1CA2
SCHEMBL21206106 0.94 F9 (0.42) ALOX5F9CA12CA1CA2
SCHEMBL21096880 0.94 ALOX5 (0.44) ALOX5F9CA12CA1CA2
SCHEMBL21206110 0.93 F9 (0.41) ALOX5F9CA12CA1CA2
SCHEMBL26759871 0.93 F9 (0.41) ALOX5F9CA12CA1CA2
SCHEMBL21097241 0.93 ALOX5 (0.43) ALOX5F9CA12CA1CA2
SCHEMBL21097240 0.93 ALOX5 (0.43) ALOX5F9CA12CA1CA2
SCHEMBL23238554 0.92 ALOX5 (0.48) ALOX5F9CA12CA1CA2

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
EP-3521280-B1 ORGANIC ELECTROLUMINESCENCE DEVICE AND AMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO LTD (KR) 2023-05-10 EP disclosed
EP-3521280-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND AMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE Samsung Display Co., Ltd (KR) 2019-08-07 EP disclosed
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 1909/4885F9 2565/4885CA12 3756/4885

“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.