SCHEMBL21123740

SCHEMBL21123740

c1ccc(-c2cccc3c2ccc2c(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4sc4ccccc45)cccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.41
ALOX5 P09917 1/20 0.39
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
PPARG P37231 7/20 0.33
PPARA Q07869 7/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TNF P01375 1/20 0.33
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
PPARD Q03181 1/20 0.32
PARP14 Q460N5 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
CYP1A2 P05177 1/20 0.32
MCL1 Q07820 1/20 0.32
ACMSD Q8TDX5 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
SCHEMBL21123746 0.95 F9 (0.43) F9ALOX5CA12CA1CA2
SCHEMBL24887441 0.95 ALOX5 (0.40) F9ALOX5CA12CA1CA2
SCHEMBL21206106 0.93 F9 (0.42) F9ALOX5CA12CA1CA2
SCHEMBL21096880 0.93 ALOX5 (0.44) F9ALOX5CA12CA1CA2
SCHEMBL24825409 0.92 F9 (0.40) F9ALOX5CA12CA1CA2
SCHEMBL21096887 0.92 ALOX5 (0.45) F9ALOX5CA12CA1CA2
SCHEMBL12206506 0.92 ALOX5 (0.42) F9ALOX5CA12CA1CA2
SCHEMBL26759871 0.92 F9 (0.41) F9ALOX5CA12CA1CA2
SCHEMBL21206110 0.92 F9 (0.41) F9ALOX5CA12CA1CA2
SCHEMBL21097241 0.92 ALOX5 (0.43) F9ALOX5CA12CA1CA2

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-20190207117-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-07-04 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-20190207117-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE MAOA, MAOB, COMT F9 644/4885ALOX5 983/4885CA12 4704/4885

“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.