SCHEMBL2742792

SCHEMBL2742792

Cc1ccc(C2COc3cc(C)ccc3C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.62
ESR2 Q92731 1/20 0.62
TTR P02766 1/20 0.62
ALOX15 P16050 6/20 0.56
ALOX12 P18054 6/20 0.56
ALOX15B O15296 3/20 0.54
RARA P10276 1/20 0.45
RARB P10826 1/20 0.45
RARG P13631 1/20 0.45
MAOB P27338 3/20 0.41
CYP19A1 P11511 3/20 0.40
NPC1 O15118 1/20 0.35

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
SCHEMBL17565590 0.91 ESR2 (0.78) ESR1ESR2TTRALOX15ALOX12
SCHEMBL19861143 0.88 ESR2 (0.83) ESR1ESR2TTRALOX15ALOX12
SCHEMBL17679253 0.88 ESR2 (0.83) ESR1ESR2TTRALOX15ALOX12
SCHEMBL31545730 0.88 ESR2 (0.83) ESR1ESR2TTRALOX15ALOX12
SCHEMBL29525502 0.83 ALOX12 (0.78) ESR1ESR2TTRALOX15ALOX12
SCHEMBL10559567 0.83 ALOX12 (0.78) ESR1ESR2TTRALOX15ALOX12
Aus-131 SCHEMBL29005752 0.80 ESR2 (0.79) ESR1ESR2TTRALOX15ALOX12
Aus-131 SCHEMBL29005768 0.80 ESR2 (0.79) ESR1ESR2TTRALOX15ALOX12
Aus-131 SCHEMBL29005767 0.80 ESR2 (0.79) ESR1ESR2TTRALOX15ALOX12
SCHEMBL12433393 0.77 ALOX15B (0.43) ESR1ESR2TTRALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716497-B2 Method for enantioselective hydrogenation of chromenes CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2014-05-06 US disclosed
US-20130116450-A1 METHOD FOR ENANTIOSELECTIVE HYDROGENATION OF CHROMENES GIRINDUS AMERICA, INC. (US) 2013-05-09 US disclosed
US-8263790-B2 Method for enantioselective hydrogenation of chromenes CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2012-09-11 US disclosed
US-20120004427-A1 METHOD FOR ENANTIOSELECTIVE HYDROGENATION OF CHROMENES GIRINDUS AMERICA, INC. (US) 2012-01-05 US disclosed
US-7960573-B2 Method for enantioselective hydrogenation of chromenes CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2011-06-14 US disclosed
US-20100069653-A1 METHOD FOR ENANTIOSELECTIVE HYDROGENATION OF CHROMENES Children hospital medical center (US) 2010-03-18 US disclosed
US-7528267-B2 Method for enantioselective hydrogenation of chromenes GIRINDUS AMERICA, INC. (US) 2009-05-05 US disclosed
US-20080108696-A1 Phytoestrogenic Formulations for Alleviation or Prevention of Neurodegenerative Diseases UNIVERSITY OF SOUTHERN CALIFORNIA 2008-05-08 US disclosed
US-20070027329-A1 Method for enantioselective hydrogenation of chromenes AUSIO PHARMACEUTICALS, LLC 2007-02-01 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 (5 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-20130116450-A1 METHOD FOR ENANTIOSELECTIVE HYDROGENATION OF CHROMENES HRH3, HRH2, CHD8 ESR1 11/4885ESR2 7/4885TTR 4208/4885
US-20070027329-A1 Method for enantioselective hydrogenation of chromenes HRH3, HRH2, CHD8 ESR1 11/4885ESR2 7/4885TTR 4208/4885
US-20080108696-A1 Phytoestrogenic Formulations for Alleviation or Prevention of Neurodegenerative Diseases ESR1, ESR2, SHBG ESR1 1/4885ESR2 2/4885TTR 485/4885
US-20120004427-A1 METHOD FOR ENANTIOSELECTIVE HYDROGENATION OF CHROMENES HRH3, HRH2, CHD8 ESR1 11/4885ESR2 7/4885TTR 4208/4885
US-20100069653-A1 METHOD FOR ENANTIOSELECTIVE HYDROGENATION OF CHROMENES HRH3, HRH2, CHD8 ESR1 11/4885ESR2 7/4885TTR 4208/4885

“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.