SCHEMBL1893669

SCHEMBL1893669

COc1ccc(C(=O)C(=Cc2ccccc2)C(=O)OC(C)(C)C)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.53
LMNA P02545 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MAPT P10636 3/20 0.53
RECQL P46063 1/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HPGD P15428 3/20 0.49
CYP2C19 P33261 3/20 0.49
MAPK1 P28482 3/20 0.49
CYP1A2 P05177 2/20 0.49
PGR P06401 2/20 0.49
SLC6A2 P23975 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP2D6 P10635 1/20 0.49
PDE4A P27815 1/20 0.49
HRH1 P35367 1/20 0.49
HTT P42858 1/20 0.49
SLC6A3 Q01959 1/20 0.49

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
SCHEMBL1893667 1.00 ABCG2 (0.53) ABCG2LMNANPC1RAB9AMAPT
SCHEMBL1893666 1.00 ABCG2 (0.53) ABCG2LMNANPC1RAB9AMAPT
SCHEMBL1893797 0.86 KMT2A (0.46) ABCG2LMNANPC1RAB9AMAPT
SCHEMBL1893795 0.86 KMT2A (0.46) ABCG2LMNANPC1RAB9AMAPT
SCHEMBL1890304 0.86 MAOB (0.51) LMNANPC1RAB9AMAPTL3MBTL1
SCHEMBL1890301 0.86 MAOB (0.51) LMNANPC1RAB9AMAPTL3MBTL1
SCHEMBL1890302 0.86 MAOB (0.51) LMNANPC1RAB9AMAPTL3MBTL1
SCHEMBL1893794 0.86 KMT2A (0.46) ABCG2LMNANPC1RAB9AMAPT
SCHEMBL1892906 0.84 MEN1 (0.43) ABCG2LMNANPC1RAB9AMAPT
SCHEMBL1892909 0.84 MEN1 (0.43) ABCG2LMNANPC1RAB9AMAPT

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 4 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-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
WO-2009108392-A2 CATALYTIC ENANTIOSELECTIVE SYNTHESIS OF FLAVANONES AND CHROMANES NORTHWESTERN UNIVERSITY (US) 2009-09-03 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-20090259055-A1 Catalytic enantioselective synthesis of flavanones and chromanones RNGTT, CDK20, TBXAS1 ABCG2 319/4885LMNA 4465/4885NPC1 4587/4885
US-20110117649-A1 Catalytic enantioselective synthesis of flavanones and chromanones RNGTT, CDK20, TBXAS1 ABCG2 319/4885LMNA 4465/4885NPC1 4587/4885

“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.