SCHEMBL767336

SCHEMBL767336

CCOc1cccc2c[c]oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 3/20 0.43
RXFP1 Q9HBX9 1/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
CASP1 P29466 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL315654 0.80 CYP2A6 (0.47) ADORA3ADORA2AADORA1CA12CA1
SCHEMBL5544202 0.73 GABRA1 (0.43)
SCHEMBL5537428 0.72 CYP2A6 (0.51) ADORA3ADORA2AADORA1ALDH1A1GLA
SCHEMBL3796715 0.71 ADORA3 (0.49) ADORA3ADORA2AADORA1CA12CA1
SCHEMBL19610466 0.70 MTNR1A (0.35)
SCHEMBL266604 0.69 ADORA3 (0.58) ADORA3ADORA2AADORA1CA12CA1
SCHEMBL3826271 0.69 MAPT (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL29862266 0.68 CYP2A6 (0.46) ADORA3ADORA2AADORA1CA12CA1
SCHEMBL11033454 0.68 CYP2A6 (0.68) ADORA3ADORA2AADORA1CA12CA1
SCHEMBL5548427 0.67 ALDH1A1 (0.44) ADORA3ADORA2AADORA1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2017-09-28 US claimed
US-9675592-B2 Methods and compositions for bacteria infections THE UNIVERSITY OF CHICAGO (US) 2017-06-13 US claimed
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-05 US claimed
EP-2969003-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS The University of Chicago (US) 2016-01-20 EP claimed
WO-2014144710-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2014-09-18 WO claimed
US-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2017-09-28 US disclosed
US-9675592-B2 Methods and compositions for bacteria infections THE UNIVERSITY OF CHICAGO (US) 2017-06-13 US disclosed
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-05 US disclosed
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 US disclosed
US-8618307-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-12-31 US disclosed
US-20130245025-A1 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-19 US disclosed
EP-2619200-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-07-31 EP disclosed
EP-1303506-A1 6-HETEROARYLPHENANTHRIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2003-04-23 EP disclosed
WO-2002006270-A1 NOVEL 6-HETEROARYLPHENANTHRIDINES ALTANA PHARMA AG (DE) 2002-01-24 WO disclosed
US-4997836-A Inhibitor of platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-03-05 US disclosed
US-4937246-A ABSORBED EASILY FROM INTESTINES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-06-26 US disclosed
EP-0369810-A2 PAF antagonists as anti-hyperendothelinemia agents Takeda Chemical Industries, Ltd. (JP) 1990-05-23 EP disclosed
EP-0368670-A1 Trisubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-05-16 EP disclosed
EP-0318235-A2 PAF antagonist, 1,4-disubstituted piperazine compounds and production thereof Takeda Chemical Industries, Ltd. (JP) 1989-05-31 EP disclosed
US-4604392-A 2-substituted benzofuran derivatives useful in treating cardiac arrhythmic, histaminic and tussive conditions A. MENARINI S.A.S. (IT) 1986-08-05 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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ADORA3 2617/4885ADORA2A 1775/4885ADORA1 2226/4885
US-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR ADORA3 4518/4885ADORA2A 2367/4885ADORA1 3190/4885
US-20130245025-A1 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 ADORA3 2617/4885ADORA2A 1775/4885ADORA1 2226/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR ADORA3 4518/4885ADORA2A 2367/4885ADORA1 3190/4885

“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.