SCHEMBL17040487

SCHEMBL17040487

CCOC(=O)/C=C/c1cc2ccc(OS(=O)(=O)C(F)(F)F)cc2oc1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.58
MAOB P27338 7/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
GLA P06280 3/20 0.44
GAA P10253 3/20 0.44
HPGD P15428 3/20 0.44
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA7 P43166 2/20 0.44
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CYP3A4 P08684 1/20 0.42
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 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
SCHEMBL26987584 0.82 KDM4E (0.52) MAOBALDH1A1KDM4EGLAGAA
SCHEMBL28365634 0.82 KDM4E (0.48) MAOBALDH1A1KDM4EGLAGAA
SCHEMBL17026676 0.81 MIF (0.62) MAOBALDH1A1KDM4EGLAGAA
SCHEMBL26987435 0.81 MIF (0.62) MAOBALDH1A1KDM4EGLAGAA
SCHEMBL2391806 0.80 HSD11B1 (0.73) HSD11B1MAOBALDH1A1KDM4EGLA
SCHEMBL13201646 0.78 MAOB (0.64) MAOBALDH1A1KDM4EGLAGAA
SCHEMBL61605 0.78 MAOB (0.64) MAOBALDH1A1KDM4EGLAGAA
SCHEMBL28521513 0.78 HSD11B1 (0.62) HSD11B1MAOBALDH1A1KDM4EGLA
SCHEMBL2393615 0.78 FBP1 (0.44) MAOBALDH1A1KDM4ECA12CA2
SCHEMBL5302491 0.76 MAOB (0.63) MAOBALDH1A1KDM4EGLAGAA

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 3418/4885MAOB 23/4885ALDH1A1 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.