SCHEMBL17026637

SCHEMBL17026637

O=C1CCCCc2cc3ccc(=O)oc3cc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 6/20 0.46
▸ CA9 Q16790 9/20 0.45
▸ CA12 O43570 7/20 0.45
▸ KDM4E B2RXH2 7/20 0.45
▸ GAA P10253 7/20 0.45
▸ ALDH1A1 P00352 7/20 0.45
▸ HPGD P15428 5/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ ACHE P22303 4/20 0.45
▸ AKR1B1 P15121 4/20 0.45
▸ GLA P06280 3/20 0.45
▸ CASP1 P29466 3/20 0.45
▸ CASP7 P55210 3/20 0.45
▸ ERAP1 Q9NZ08 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ HIF1A Q16665 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ BCHE P06276 1/20 0.45

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
SCHEMBL17037971 0.76 GAA (0.45) MCL1CA9CA12KDM4EGAA
SCHEMBL17026607 0.76 GAA (0.48) MCL1CA9CA12KDM4EGAA
SCHEMBL17037899 0.75 CA9 (0.41) MCL1CA9CA12KDM4EGAA
SCHEMBL4740620 0.73 GAA (0.48) MCL1CA9CA12KDM4EGAA
SCHEMBL31708310 0.72 GAA (0.47) MCL1CA9CA12KDM4EGAA
SCHEMBL17026642 0.72 CA9 (0.41) MCL1CA9CA12KDM4EGAA
SCHEMBL24176570 0.71 ATM (0.55) MCL1CA9CA12KDM4EGAA
SCHEMBL11552058 0.71 ATM (0.58) MCL1CA9CA12KDM4EGAA
SCHEMBL11557920 0.69 ALDH1A1 (0.46) MCL1CA9CA12KDM4EGAA
SCHEMBL3277376 0.68 GAA (0.49) MCL1CA9CA12KDM4EGAA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9759726-B2 Reactive labelling compounds and uses thereof ACADEMIA SINICA (TW) 2017-09-12 — — US disclosed
US-9759726-B2 Reactive labelling compounds and uses thereof ACADEMIA SINICA (TW) 2017-09-12 — — US disclosed
US-9759726-B2 Reactive labelling compounds and uses thereof ACADEMIA SINICA (TW) 2017-09-12 — — US disclosed
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-9547009-B2 Benzocyclooctyne compounds and uses thereof ACADEMIA SINICA (TW) 2017-01-17 — — US disclosed
WO-2015148915-A9 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2016-12-22 — — WO disclosed
US-20150309041-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2015-10-29 — — US disclosed
US-20150309041-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2015-10-29 — — US disclosed
US-20150309041-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2015-10-29 — — US disclosed
WO-2015148915-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2015-10-01 — — WO 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
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 (2 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-20150309041-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF MPI, AADAC, PAICS MCL1 1284/4885CA9 1142/4885CA12 1738/4885
US-20150241439-A1 BENZOCYCLOOCTYNE COMPOUNDS AND USES THEREOF AADAC, TBCA, SPG11 MCL1 1838/4885CA9 399/4885CA12 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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