Sugi Predict

Sugi Predict / Compounds / SCHEMBL1891291

SCHEMBL1891291

SCHEMBL1891291

O=C1C[C@H](c2ccccc2Cl)Oc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.68
▸ ADORA3 P0DMS8 3/20 0.68
▸ HSD11B1 P28845 1/20 0.68
▸ AKR1C3 P42330 1/20 0.68
▸ MAOB P27338 4/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ CYP19A1 P11511 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ AXL P30530 1/20 0.59
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ MAPT P10636 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ GUSB P08236 2/20 0.55
▸ LDHA P00338 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
SCHEMBL1891296 1.00 AR (0.68) ARADORA3HSD11B1AKR1C3MAOB
SCHEMBL11257429 0.85 AR (0.61) ARADORA3HSD11B1AKR1C3MAOB
SCHEMBL4366665 0.83 AR (0.76) ARADORA3HSD11B1AKR1C3MAOB
SCHEMBL8093292 0.81 ADORA3 (0.68) ARADORA3HSD11B1AKR1C3MAOB
2'-Hydroxy-Flavanone SCHEMBL128288 0.81 AR (1.00) ARADORA3HSD11B1AKR1C3MAOB
2'-Hydroxy-Flavanone SCHEMBL128289 0.81 AR (1.00) ARADORA3HSD11B1AKR1C3MAOB
SCHEMBL8093300 0.81 ADORA3 (0.68) ARADORA3HSD11B1AKR1C3MAOB
2'-Hydroxy-Flavanone SCHEMBL29661236 0.81 AR (1.00) ARADORA3HSD11B1AKR1C3MAOB
2'-Hydroxy-Flavanone SCHEMBL29661209 0.80 AR (0.97) ARADORA3HSD11B1AKR1C3MAOB
SCHEMBL24279646 0.79 AR (0.65) ARADORA3HSD11B1AKR1C3MAOB

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 6 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

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 AR 889/4885ADORA3 1130/4885HSD11B1 806/4885
US-20110117649-A1 Catalytic enantioselective synthesis of flavanones and chromanones RNGTT, CDK20, TBXAS1 AR 889/4885ADORA3 1130/4885HSD11B1 806/4885

“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.