SCHEMBL17037889

SCHEMBL17037889

O=Cc1cc2cc3c(cc2oc1=O)C#CCC/C=C\3

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL17037989 0.83 — —
SCHEMBL17037911 0.78 CHAT (0.35) MEN1KMT2A
SCHEMBL17037877 0.76 CA9 (0.41) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL17037894 0.76 KDM4E (0.37) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL17040426 0.75 MIF (0.40) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL17037992 0.73 KDM4E (0.37) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL17037895 0.73 KDM4E (0.37) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL17037879 0.72 KDM4E (0.36) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL17037888 0.72 KDM4E (0.36) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL17040375 0.72 GPR35 (0.31) —

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 4 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-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
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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