SCHEMBL17037974

SCHEMBL17037974

CC(=O)/C=C/c1cc2ccc(C)cc2oc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.47
▸ MIF P14174 3/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ S1PR4 O95977 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ S1PR1 P21453 1/20 0.44
▸ HSD17B3 P37058 1/20 0.44
▸ MAOB P27338 6/20 0.42
▸ MAOA P21397 1/20 0.42
▸ CA12 O43570 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA5A P35218 1/20 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
SCHEMBL17037981 0.87 MIF (0.60) HSD11B1MIFMEN1MAPTKMT2A
SCHEMBL19196312 0.83 MAPT (0.49) MIFMEN1MAPTKMT2AKDM4E
SCHEMBL13486864 0.82 ALDH1A1 (0.61) HSD11B1MEN1KMT2AKDM4EGAA
SCHEMBL19196064 0.82 MIF (0.45) MIFMEN1MAPTKMT2AGAA
SCHEMBL17037976 0.80 KDM4E (0.40) HSD11B1MIFMEN1MAPTKMT2A
SCHEMBL19196313 0.80 MAPT (0.58) MEN1MAPTKMT2AKDM4EMAOB
SCHEMBL28386211 0.79 MEN1 (0.69) MEN1MAPTKMT2AKDM4EGAA
SCHEMBL5288407 0.79 ALDH1A1 (0.60) HSD11B1MIFMEN1MAPTKMT2A
SCHEMBL17037982 0.78 MEN1 (0.39) HSD11B1MIFMEN1MAPTKMT2A
SCHEMBL19196314 0.76 MAOB (0.42) HSD11B1MIFMEN1MAPTKMT2A

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 HSD11B1 3418/4885MIF 3348/4885MEN1 3600/4885

“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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