SCHEMBL17465494

SCHEMBL17465494

c1ccc(-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cc(-c4ccccc4)cc(-c4cccc5ccccc45)c3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ MCL1 Q07820 1/20 0.42
▸ ACMSD Q8TDX5 1/20 0.42
▸ CHRNA1 P02708 1/20 0.39
▸ CHRNG P07510 1/20 0.39
▸ CHRNB1 P11230 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ CHRND Q07001 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39

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
SCHEMBL22837493 0.98 CA12 (0.46) CA12CA1CA2CA9MCL1
SCHEMBL10135905 0.97 CA12 (0.48) CA12CA1CA2CA9MCL1
SCHEMBL26009396 0.97 CA12 (0.48) CA12CA1CA2CA9MCL1
SCHEMBL17740696 0.97 CA12 (0.48) CA12CA1CA2CA9MCL1
SCHEMBL10135919 0.97 CA12 (0.48) CA12CA1CA2CA9MCL1
SCHEMBL14490044 0.97 CA12 (0.48) CA12CA1CA2CA9MCL1
SCHEMBL23238032 0.95 CA12 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL23238029 0.95 CA12 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL23238025 0.95 CA12 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL18069078 0.95 CA12 (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170162813-A1 ORGANIC ELECTRONIC ELEMENT USING A COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-06-08 — — US disclosed
US-20170162813-A1 ORGANIC ELECTRONIC ELEMENT USING A COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-06-08 — — US disclosed
WO-2016013816-A1 ORGANIC ELECTRICAL ELEMENT USING COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2016-01-28 — — WO 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-20170162813-A1 ORGANIC ELECTRONIC ELEMENT USING A COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND AN ELECTRONIC DEVICE THEREOF OCIAD1, GPX1, PIEZO1 CA12 751/4885CA1 842/4885CA2 1123/4885

“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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