SCHEMBL17040498

SCHEMBL17040498

CCOC(=O)C1C2C#Cc3cc4oc(=O)c(C=C(C#N)C#N)cc4cc3CCC21

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30

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
SCHEMBL17040474 0.91 ATM (0.37) RAB9A
SCHEMBL17037902 0.88 ALDH1A1 (0.34) PKMRAB9AMAOAMAOB
SCHEMBL17040486 0.81 — —
SCHEMBL17040368 0.81 — —
SCHEMBL17037913 0.80 PKM (0.33) PKMRAB9A
SCHEMBL17037882 0.79 CA9 (0.40) PKMRAB9AMAOAMAOB
SCHEMBL17040462 0.79 PKM (0.30) PKMRAB9A
SCHEMBL17037962 0.72 HTR3A (0.31) —
SCHEMBL17037944 0.72 — —
SCHEMBL17037927 0.71 HTR1A (0.36) —

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 PKM 1216/4885RAB9A 3289/4885MAOA 104/4885

“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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