SCHEMBL12551765

SCHEMBL12551765

[C-]#[N+]c1cc(C#N)cc(Cc2cc(C#N)cc(C#N)c2)c1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.31

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
SCHEMBL12587111 0.85 TTR (0.36) —
SCHEMBL12399938 0.83 MEN1 (0.31) —
SCHEMBL12399930 0.83 GRM5 (0.35) —
SCHEMBL1542913 0.81 LOXL2 (0.41) LOXL2
SCHEMBL12399934 0.73 ALDH1A1 (0.39) —
SCHEMBL12551572 0.73 GRM5 (0.36) —
SCHEMBL10251503 0.72 TTR (0.39) —
SCHEMBL12798241 0.72 GRM5 (0.35) —
SCHEMBL12399933 0.72 ALDH1A1 (0.38) —
SCHEMBL12246754 0.72 TTR (0.39) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2016-08-18 — — US disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 — — 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 (2 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-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 LOXL2 929/4885
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 LOXL2 929/4885

“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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