SCHEMBL17040424

SCHEMBL17040424

N#CC(C#N)=Cc1cc2cc3c(cc2oc1=O)C#CCCC(=O)N3

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL17040436 0.84 ATM (0.40) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL17040497 0.83 — —
SCHEMBL17040479 0.82 KDM4E (0.31) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL17040468 0.80 KDM4E (0.31) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL17040458 0.77 GPR35 (0.31) —
SCHEMBL17040420 0.77 KDM4E (0.33) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL17040425 0.75 — —
SCHEMBL17040494 0.74 — —
SCHEMBL17040343 0.69 KDM4E (0.31) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL17040495 0.67 ATM (0.39) KDM4EMEN1ALDH1A1MAPTKMT2A

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-9547009-B2 Benzocyclooctyne compounds and uses thereof ACADEMIA SINICA (TW) 2017-01-17 — — US disclosed
US-20150241439-A1 BENZOCYCLOOCTYNE COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2015-08-27 — — 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-20150241439-A1 BENZOCYCLOOCTYNE COMPOUNDS AND USES THEREOF AADAC, TBCA, SPG11 KDM4E 4661/4885MEN1 3600/4885ALDH1A1 739/4885

“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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