SCHEMBL17026674

SCHEMBL17026674

CCOC(=O)c1cc2cc3c(cc2oc1=O)CC(O[Si](C(C)C)(C(C)C)C(C)C)CCCC3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.53
▸ MAOA P21397 2/20 0.53
▸ CA12 O43570 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA3 P07451 2/20 0.45
▸ CA4 P22748 2/20 0.45
▸ CA6 P23280 2/20 0.45
▸ CA7 P43166 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ CA14 Q9ULX7 2/20 0.45
▸ CA5B Q9Y2D0 1/20 0.45
▸ MIF P14174 1/20 0.44
▸ PFKFB3 Q16875 1/20 0.44
▸ KDM4E B2RXH2 6/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ GLA P06280 4/20 0.43
▸ GAA P10253 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ NOD2 Q9HC29 1/20 0.41
▸ HSD17B10 Q99714 3/20 0.41

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
SCHEMBL17037980 0.88 MAOB (0.39) MAOBMAOACA12CA9MIF
SCHEMBL17200860 0.78 MAOA (0.41) MAOBMAOACA12CA7CA9
SCHEMBL9132388 0.67 MAOB (0.57) MAOBMAOACA12CA2CA3
SCHEMBL18380196 0.67 MAOB (0.47) MAOBMAOACA12CA2CA3
SCHEMBL17037969 0.67 MAOB (0.45) MAOBMAOACA12CA9MIF
SCHEMBL8163031 0.66 KDM4E (0.51) MAOBMAOACA12CA2CA3
SCHEMBL7752963 0.66 MAOB (0.61) MAOBMAOACA12CA2CA3
SCHEMBL24384544 0.66 MAOB (0.51) MAOBMAOACA12CA2CA3
SCHEMBL25696561 0.65 MAOB (0.67) MAOBMAOACA12CA2CA3
SCHEMBL18752370 0.65 CA12 (0.85) MAOBMAOACA12CA2CA3

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 MAOB 23/4885MAOA 104/4885CA12 1060/4885

“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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