SCHEMBL17037878

SCHEMBL17037878

O=c1ccc2cc3c(cc2o1)C#C/C=C\C=C/3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 11/20 0.41
▸ CA12 O43570 10/20 0.41
▸ HSD17B10 Q99714 7/20 0.41
▸ ALDH1A1 P00352 7/20 0.41
▸ KDM4E B2RXH2 6/20 0.41
▸ MCL1 Q07820 6/20 0.41
▸ HPGD P15428 6/20 0.41
▸ AKR1B1 P15121 5/20 0.41
▸ GAA P10253 4/20 0.41
▸ ACHE P22303 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ GLA P06280 3/20 0.41
▸ CASP1 P29466 3/20 0.41
▸ CASP7 P55210 3/20 0.41
▸ ERAP1 Q9NZ08 3/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ HIF1A Q16665 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 2/20 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
SCHEMBL17037894 0.76 KDM4E (0.37) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL17037877 0.73 CA9 (0.41) CA9CA12HSD17B10ALDH1A1KDM4E
SCHEMBL17040343 0.70 KDM4E (0.31) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL17037881 0.69 MAOA (0.40) CA9CA12HSD17B10ALDH1A1KDM4E
SCHEMBL24788182 0.62 CA9 (0.47) CA9CA12HSD17B10ALDH1A1KDM4E
SCHEMBL15842518 0.60 CA9 (0.59) CA9CA12HSD17B10ALDH1A1KDM4E
SCHEMBL15842745 0.60 CA9 (0.59) CA9CA12HSD17B10ALDH1A1KDM4E
Esculetin SCHEMBL29569228 0.60 CA9 (1.00) CA9CA12HSD17B10ALDH1A1KDM4E
Esculetin SCHEMBL6867015 0.60 CA9 (1.00) CA9CA12HSD17B10ALDH1A1KDM4E
SCHEMBL8036025 0.60 ALDH1A1 (0.62) CA9CA12HSD17B10ALDH1A1KDM4E

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 4 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-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
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 CA9 399/4885CA12 1060/4885HSD17B10 947/4885

“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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