SCHEMBL17026642

SCHEMBL17026642

O=c1ccc2cc3c(cc2o1)C#CCCCC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 8/20 0.41
▸ GAA P10253 7/20 0.41
▸ KDM4E B2RXH2 6/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ CA12 O43570 6/20 0.41
▸ ACHE P22303 5/20 0.41
▸ MCL1 Q07820 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ GLA P06280 2/20 0.41
▸ AKR1B1 P15121 2/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ CASP7 P55210 2/20 0.41
▸ ERAP1 Q9NZ08 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ALOX15 P16050 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
SCHEMBL17037899 0.83 CA9 (0.41) CA9GAAKDM4EALDH1A1CA12
SCHEMBL17037875 0.79 CA9 (0.41) CA9GAAKDM4EALDH1A1CA12
SCHEMBL17037885 0.79 CA9 (0.41) CA9GAAKDM4EALDH1A1CA12
SCHEMBL17037869 0.78 CA9 (0.40) CA9GAAKDM4EALDH1A1CA12
SCHEMBL17037876 0.78 CA9 (0.40) CA9GAAKDM4EALDH1A1CA12
SCHEMBL17037992 0.76 KDM4E (0.37) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL17037886 0.76 KDM4E (0.39) CA9GAAKDM4EALDH1A1CA12
SCHEMBL17037881 0.75 MAOA (0.40) CA9GAAKDM4EALDH1A1CA12
SCHEMBL17037900 0.72 MAOA (0.40) CA9GAAKDM4EALDH1A1CA12
SCHEMBL17026637 0.72 MCL1 (0.46) CA9GAAKDM4EALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10119972-B2 Reactive labelling compounds and uses thereof ACADEMIA SINICA (TW) 2018-11-06 — — US disclosed
US-20180011104-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2018-01-11 — — US disclosed
US-20180011104-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2018-01-11 — — 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-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 (4 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 CA9 1142/4885GAA 20/4885KDM4E 4416/4885
US-20180011104-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF MPI, AADAC, PAICS CA9 1139/4885GAA 27/4885KDM4E 4318/4885
US-20150241439-A1 BENZOCYCLOOCTYNE COMPOUNDS AND USES THEREOF AADAC, TBCA, SPG11 CA9 399/4885GAA 831/4885KDM4E 4661/4885
US-10119972-B2 Reactive labelling compounds and uses thereof MPI, AADAC, PAICS CA9 1139/4885GAA 27/4885KDM4E 4318/4885

“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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