Sugi Predict

Sugi Predict / Compounds / SCHEMBL1886532

SCHEMBL1886532

SCHEMBL1886532

CC(C)(C)OC(=O)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ RET P07949 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ MAOB P27338 3/20 0.41
▸ CYP19A1 P11511 2/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ AR P10275 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NPC1 O15118 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ RECQL P46063 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
SCHEMBL1886531 1.00 CYP3A4 (0.45) CYP3A4ALOX15RETKDRMAOB
SCHEMBL1893755 0.89 MAPT (0.50) CYP3A4ALOX15RETKDRMAOB
SCHEMBL1893757 0.89 MAPT (0.50) CYP3A4ALOX15RETKDRMAOB
SCHEMBL28902155 0.82 TSHR (0.52) CYP3A4ALOX15RETKDRMAPT
SCHEMBL1892218 0.80 RET (0.51) CYP3A4ALOX15RETKDRMAOB
SCHEMBL28570809 0.79 ALDH1A1 (0.44) CYP3A4ALOX15RETKDRMAOB
SCHEMBL1772053 0.76 CYP3A4 (0.50) CYP3A4ALOX15RETKDRMAOB
SCHEMBL27614200 0.75 RET (0.47) CYP3A4ALOX15RETKDRMAOB
SCHEMBL4224331 0.74 MAPT (0.52) CYP3A4ALOX15RETKDRMAOB
SCHEMBL1772464 0.73 CYP3A4 (0.52) CYP3A4ALOX15RETKDRCYP19A1

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 CYP3A4 42/4885ALOX15 3130/4885RET 3774/4885
US-20110117649-A1 Catalytic enantioselective synthesis of flavanones and chromanones RNGTT, CDK20, TBXAS1 CYP3A4 42/4885ALOX15 3130/4885RET 3774/4885

“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.