SCHEMBL21124227

SCHEMBL21124227

c1ccc(-c2ccc3c(ccc4cc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc7c(c6)oc6ccccc67)cc5)ccc43)c2)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
▸ HSD17B1 P14061 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37
▸ MCL1 Q07820 1/20 0.36
▸ ACMSD Q8TDX5 1/20 0.36
▸ HCRTR1 O43613 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MMP12 P39900 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
SCHEMBL21124222 0.99 CA12 (0.39) CA12CA1CA2CA9HSD17B1
SCHEMBL21124578 0.98 CA12 (0.39) CA12CA1CA2CA9HSD17B1
SCHEMBL21203626 0.98 CA12 (0.41) CA12CA1CA2CA9HSD17B1
SCHEMBL21206093 0.98 CA12 (0.41) CA12CA1CA2CA9HSD17B1
SCHEMBL21203340 0.97 CA12 (0.41) CA12CA1CA2CA9HSD17B1
SCHEMBL26057089 0.97 CA12 (0.38) CA12CA1CA2CA9HSD17B1
SCHEMBL21206185 0.96 CA12 (0.40) CA12CA1CA2CA9HSD17B1
SCHEMBL21203630 0.96 CA12 (0.40) CA12CA1CA2CA9HSD17B1
SCHEMBL21203445 0.96 CA12 (0.40) CA12CA1CA2CA9HSD17B1
SCHEMBL21206200 0.96 CA12 (0.40) CA12CA1CA2CA9HSD17B1

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 CA12 4704/4885CA1 4088/4885CA2 4490/4885

“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.

Send feedback