SCHEMBL23790444

SCHEMBL23790444

c1ccc(-c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4ccccc34)c3cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5ccccc45)c(-c4ccccc4)cc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ MCL1 Q07820 1/20 0.35
▸ ACMSD Q8TDX5 1/20 0.35
▸ TNF P01375 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ PPARG P37231 7/20 0.34
▸ PPARA Q07869 7/20 0.34
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ENPP3 O14638 1/20 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
SCHEMBL23790603 0.95 CA12 (0.40) CA12CA1CA2CA9MCL1
SCHEMBL23790448 0.94 SIGMAR1 (0.35) CA12CA1CA2CA9TNF
SCHEMBL23790408 0.93 CA1 (0.36) CA12CA1CA2CA9PPARG
SCHEMBL23790445 0.93 CA12 (0.41) CA12CA1CA2CA9MCL1
SCHEMBL17690819 0.91 CA12 (0.42) CA12CA1CA2CA9MCL1
SCHEMBL17690798 0.91 CA12 (0.42) CA12CA1CA2CA9MCL1
SCHEMBL23790433 0.90 KDM4E (0.37) CA12CA1CA2CA9MCL1
SCHEMBL23790642 0.89 CA12 (0.41) CA12CA1CA2CA9MCL1
SCHEMBL23790607 0.89 CA12 (0.35) CA12CA1CA2CA9MCL1
SCHEMBL17690833 0.89 CA12 (0.43) CA12CA1CA2CA9MCL1

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-20210280786-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND DIAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-09-09 — — 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-20210280786-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND DIAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE AOC1, ODC1, SAT1 CA12 4350/4885CA1 3303/4885CA2 3984/4885

“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.

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