SCHEMBL17037969

SCHEMBL17037969

CC(=O)c1cc2cc3c(cc2oc1=O)CC(C)CCCC3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ S1PR4 O95977 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ MIF P14174 1/20 0.45
▸ S1PR1 P21453 1/20 0.45
▸ CA12 O43570 4/20 0.44
▸ CA9 Q16790 4/20 0.44
▸ MAOA P21397 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ NT5E P21589 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD11B1 P28845 4/20 0.41
▸ F12 P00748 1/20 0.41
▸ USP2 O75604 1/20 0.40

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
SCHEMBL18380196 0.90 MAOB (0.47) MAOBKDM4ECA12CA9MAOA
SCHEMBL17037980 0.80 MAOB (0.39) MAOBKDM4EGAAMEN1MAPT
SCHEMBL17037971 0.77 GAA (0.45) KDM4EGAAMAPTKMT2AGLA
SCHEMBL15842688 0.72 MAOB (0.67) MAOBKDM4EGAAMEN1MAPT
SCHEMBL24450681 0.68 MAOB (0.66) MAOBKDM4EGAAMEN1MAPT
SCHEMBL17026674 0.67 MAOB (0.53) MAOBKDM4EGAAMEN1MAPT
SCHEMBL29182640 0.66 MAOB (0.66) MAOBKDM4EGAAMEN1MAPT
SCHEMBL7915127 0.66 MAOB (0.76) MAOBKDM4EGAAMEN1MAPT
SCHEMBL22043068 0.64 SLC16A3 (0.46) MAOBKDM4EGAAMEN1MAPT
SCHEMBL17026607 0.64 GAA (0.48) KDM4EGAAMEN1MAPTKMT2A

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 23/4885KDM4E 4661/4885GAA 831/4885

“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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