SCHEMBL1890730

SCHEMBL1890730

Cc1ccc([C@H]2CC(=O)c3ccccc3O2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 1.00
ADORA3 P0DMS8 2/20 0.79
KDM4E B2RXH2 1/20 0.79
AR P10275 1/20 0.79
CYP19A1 P11511 1/20 0.79
HSD17B10 Q99714 1/20 0.79
NPC1 O15118 3/20 0.73
RAB9A P51151 3/20 0.73
MAPT P10636 2/20 0.73
CYP3A4 P08684 1/20 0.73
MAPK1 P28482 1/20 0.73

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
SCHEMBL1890733 1.00 MAOB (1.00) MAOBADORA3KDM4EARCYP19A1
Flavanone SCHEMBL29470801 0.89 MAOB (1.00) MAOBADORA3KDM4EARCYP19A1
Flavanone SCHEMBL29843289 0.89 MAOB (1.00) MAOBADORA3KDM4EARCYP19A1
Flavanone SCHEMBL12660199 0.89 MAOB (1.00) MAOBADORA3KDM4EARCYP19A1
Flavanone SCHEMBL12189591 0.89 MAOB (1.00) MAOBADORA3KDM4EARCYP19A1
Flavanone SCHEMBL19745 0.89 MAOB (1.00) MAOBADORA3KDM4EARCYP19A1
Flavanone SCHEMBL27610362 0.87 MAOB (0.90) MAOBADORA3KDM4EARCYP19A1
Flavanone SCHEMBL22715765 0.87 MAOB (0.96) MAOBADORA3KDM4EARCYP19A1
Flavanone SCHEMBL27281921 0.87 MAOB (0.96) MAOBADORA3KDM4EARCYP19A1
Flavanone SCHEMBL11733114 0.87 MAOB (0.96) MAOBADORA3KDM4EARCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110117649-A1 Catalytic enantioselective synthesis of flavanones and chromanones NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-05-19 US disclosed
US-20110117649-A1 Catalytic enantioselective synthesis of flavanones and chromanones NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-05-19 US disclosed
US-7851640-B2 Catalytic enantioselective synthesis of flavanones and chromanones NORTHWESTERN UNIVERSITY (US) 2010-12-14 US disclosed
US-7851640-B2 Catalytic enantioselective synthesis of flavanones and chromanones NORTHWESTERN UNIVERSITY (US) 2010-12-14 US disclosed
US-20090259055-A1 Catalytic enantioselective synthesis of flavanones and chromanones NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-15 US disclosed
US-20090259055-A1 Catalytic enantioselective synthesis of flavanones and chromanones NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-15 US disclosed
US-4461907-A Amino-substituted flavans useful as anti-viral agents BURROUGHS WELLCOME CO. 1984-07-24 US disclosed
EP-0004579-B1 FLAVANS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1982-08-18 EP disclosed
EP-0025161-B1 3-METHYLENE FLAVANONES AND 3-METHYLENE CHROMANONES, ANTIMICROBIAL COMPOSITION CONTAINING SAME AND METHOD OF INHIBITING THE GROWTH OF MICROORGANISMS MILES LABORATORIES, INC. (US) 1982-06-09 EP disclosed
EP-0051061-A2 Novel intermediates and process for their preparation THE WELLCOME FOUNDATION LIMITED (GB) 1982-05-05 EP disclosed
EP-0025161-A1 3-Methylene flavanones and 3-methylene chromanones, antimicrobial composition containing same and method of inhibiting the growth of microorganisms MILES LABORATORIES, INC. (US) 1981-03-18 EP disclosed
US-4241069-A MICROBIOCIDES MILES LABORATORIES, INC. (US) 1980-12-23 US disclosed
EP-0004579-A1 Flavans, process for their preparation and pharmaceutical compositions containing them THE WELLCOME FOUNDATION LIMITED (GB) 1979-10-17 EP 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-20090259055-A1 Catalytic enantioselective synthesis of flavanones and chromanones RNGTT, CDK20, TBXAS1 MAOB 458/4885ADORA3 1130/4885KDM4E 1170/4885
US-20110117649-A1 Catalytic enantioselective synthesis of flavanones and chromanones RNGTT, CDK20, TBXAS1 MAOB 458/4885ADORA3 1130/4885KDM4E 1170/4885

“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.