SCHEMBL1893757

SCHEMBL1893757

COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MAOB P27338 1/20 0.50
CYP19A1 P11511 2/20 0.47
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.44
MAOA P21397 1/20 0.44
PTGS2 P35354 1/20 0.44
RET P07949 1/20 0.41
KDR P35968 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 2/20 0.41
HTT P42858 2/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL1893755 1.00 MAPT (0.50) MAPTNPC1RAB9AMAOBCYP19A1
SCHEMBL1886532 0.89 CYP3A4 (0.45) MAPTNPC1RAB9AMAOBCYP19A1
SCHEMBL1886531 0.89 CYP3A4 (0.45) MAPTNPC1RAB9AMAOBCYP19A1
SCHEMBL4224331 0.84 MAPT (0.52) MAPTNPC1RAB9AMAOBCYP19A1
SCHEMBL1773459 0.80 KDM4E (0.49) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL14967144 0.76 TSHR (0.45) MAPTNPC1RAB9AGABRA1GABRB2
SCHEMBL7760857 0.76 TSHR (0.45) MAPTNPC1RAB9AGABRA1GABRB2
SCHEMBL28570809 0.74 ALDH1A1 (0.44) MAPTNPC1RAB9AMAOBCYP19A1
SCHEMBL1772053 0.74 CYP3A4 (0.50) MAPTNPC1RAB9AMAOBCYP19A1
SCHEMBL1906880 0.72 MAPT (0.47) MAPTNPC1RAB9AMAOBCYP19A1

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-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

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 MAPT 4627/4885NPC1 4587/4885RAB9A 3477/4885
US-20110117649-A1 Catalytic enantioselective synthesis of flavanones and chromanones RNGTT, CDK20, TBXAS1 MAPT 4627/4885NPC1 4587/4885RAB9A 3477/4885

“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.