SCHEMBL2226399

SCHEMBL2226399

O=c1oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2cc1-c1cccs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.57
▸ CA12 O43570 5/20 0.53
▸ CA9 Q16790 5/20 0.53
▸ CA1 P00915 4/20 0.53
▸ CA2 P00918 2/20 0.53
▸ ALDH1A1 P00352 5/20 0.50
▸ HPGD P15428 5/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ CASP1 P29466 4/20 0.50
▸ CASP7 P55210 4/20 0.50
▸ HSD17B10 Q99714 4/20 0.50
▸ GLA P06280 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ AMY1A P0DUB6 1/20 0.50
▸ DNMT1 P26358 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL2228885 1.00 MAOB (0.57) MAOBCA12CA9CA1CA2
SCHEMBL8512145 0.83 MAOB (0.57) MAOBCA12CA9CA1CA2
SCHEMBL2422537 0.81 HSD17B10 (0.64) CA12CA9CA1CA2ALDH1A1
SCHEMBL8403748 0.80 CA12 (0.67) CA12CA9CA1CA2ALDH1A1
SCHEMBL165951 0.80 CA12 (0.67) CA12CA9CA1CA2ALDH1A1
SCHEMBL336407 0.80 CA12 (0.67) CA12CA9CA1CA2ALDH1A1
SCHEMBL15124782 0.80 CA12 (0.67) CA12CA9CA1CA2ALDH1A1
SCHEMBL2188796 0.80 CA12 (0.67) CA12CA9CA1CA2ALDH1A1
SCHEMBL1679606 0.80 CA12 (0.67) CA12CA9CA1CA2ALDH1A1
SCHEMBL2778091 0.80 CA12 (0.67) CA12CA9CA1CA2ALDH1A1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896711-B2 Fluorogenic or fluorophoric compounds and uses thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-02-20 — — US disclosed
US-9896711-B2 Fluorogenic or fluorophoric compounds and uses thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-02-20 — — US disclosed
US-20160340709-A1 FLUOROGENIC OR FLUOROPHORIC COMPOUNDS AND USES THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-11-24 — — US disclosed
US-20160340709-A1 FLUOROGENIC OR FLUOROPHORIC COMPOUNDS AND USES THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-11-24 — — US disclosed
US-9434975-B2 Fluorogenic or fluorophoric compounds and uses thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-09-06 — — US disclosed
US-9434975-B2 Fluorogenic or fluorophoric compounds and uses thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-09-06 — — US disclosed
EP-2516666-B1 METHODS OF DETECTING MICROORGANISMS AND KITS THEREFORE 3M INNOVATIVE PROPERTIES CO (US) 2016-04-20 — — EP disclosed
EP-2726842-B1 SYSTEMS AND METHODS FOR DETECTING AN ANALYTE OF INTEREST IN A SAMPLE USING MICROSTRUCTURED SURFACES 3M INNOVATIVE PROPERTIES CO (US) 2016-03-16 — — EP disclosed
EP-2726843-B1 SYSTEMS AND METHODS FOR DETECTING AN ANALYTE OF INTEREST IN A SAMPLE USING FILTERS AND MICROSTRUCTURED SURFACES 3M INNOVATIVE PROPERTIES CO (US) 2016-03-02 — — EP disclosed
EP-2691383-B1 FLUOROGENIC OR FLUOROPHORIC COMPOUNDS AND USES THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2015-01-21 — — EP disclosed
US-8518664-B2 Methods of determining the amount of microorganisms present in a test sample 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-08-27 — — US disclosed
EP-2516666-A1 METHODS OF DETECTING MICROORGANISMS AND KITS THEREFORE 3M Innovative Properties Company (US) 2012-10-31 — — EP disclosed
US-20120252049-A1 METHODS OF DETECTING MICROORGANISMS AND KITS THEREFORE 3M INNOVATIVE PROPERTIES COMPANY 2012-10-04 — — US disclosed
WO-2011087711-A1 METHODS OF DETECTING MICROORGANISMS AND KITS THEREFORE 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-07-21 — — WO disclosed
EP-1204671-B1 FLUOROGENIC COMPOUNDS AND USES THEREFOR 3M INNOVATIVE PROPERTIES CO (US) 2003-12-03 — — EP disclosed
US-6566508-B2 Compound for use in the accurate detection of food parasites 3M INNOVATIVE PROPERTIES COMPANY 2003-05-20 — — US disclosed
US-20020147317-A1 Fluorogenic compounds and uses therefor 3M INNOVATIVE PROPETIES COMPANY 2002-10-10 — — US disclosed
EP-1204671-A1 FLUOROGENIC COMPOUNDS AND USES THEREFOR 3M Innovative Properties Company (US) 2002-05-15 — — EP disclosed
US-6372895-B1 USEFUL IN ASSAYING FOR BIOLOGICAL ACTIVITY 3M INNOVATIVE PROPERTIES COMPANY 2002-04-16 — — US disclosed
WO-2001010881-A1 FLUOROGENIC COMPOUNDS AND USES THEREFOR 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-02-15 — — WO 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-20020147317-A1 Fluorogenic compounds and uses therefor NOTUM, WEE1, CPSF7 MAOB 3070/4885CA12 3131/4885CA9 4264/4885
US-20160340709-A1 FLUOROGENIC OR FLUOROPHORIC COMPOUNDS AND USES THEREOF FDPS, FOS, PFKFB1 MAOB 203/4885CA12 296/4885CA9 70/4885

“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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