SCHEMBL1483979

SCHEMBL1483979

CC(C)(C)NC[C@@H](O)COc1ccc2c(=O)cc(-c3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)oc2c1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
ADRB3 P13945 1/20 0.52
CYP2D6 P10635 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
MEN1 O00255 1/20 0.46
RAD52 P43351 1/20 0.46
KMT2A Q03164 1/20 0.46
ABCB1 P08183 1/20 0.46
MAPT P10636 1/20 0.46
ACHE P22303 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL1483974 1.00 ADRB2 (0.52) ADRB2ADRB1ADRB3CYP2D6ITGB3
SCHEMBL1483981 1.00 ADRB2 (0.52) ADRB2ADRB1ADRB3CYP2D6ITGB3
SCHEMBL14293136 0.97 ADRB2 (0.49) ADRB2ADRB1ADRB3CYP2D6ACHE
SCHEMBL4407561 0.89 CYP1A1 (0.48) ADRB2ADRB1ADRB3CYP2D6ITGB3
SCHEMBL1483644 0.89 ADRB2 (0.47) ADRB2ADRB1ADRB3CYP2D6MEN1
SCHEMBL1483645 0.89 ADRB2 (0.47) ADRB2ADRB1ADRB3CYP2D6MEN1
SCHEMBL1484227 0.89 ADRB2 (0.47) ADRB2ADRB1ADRB3CYP2D6MEN1
SCHEMBL1484581 0.88 ABCB1 (0.46) ABCB1MAPT
SCHEMBL4412877 0.87 CYP3A4 (0.49) CYP2D6MEN1KMT2AMAPTACHE
SCHEMBL4399919 0.86 MEN1 (0.47) CYP2D6MEN1KMT2AMAPTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077294-A1 R-(-) / S-(+)-7-[3-N SUBSTITUTED AMINO-2 HYDROXYPROPOXY] FLAVONES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2011-03-31 US claimed
EP-2057137-B1 S-(+)-7-[3-N-SUBSTITUTED AMINO-2-HYDROXYPROPOXY]FLAVONES COUNCIL SCIENT IND RES (IN) 2013-10-23 EP disclosed
US-20110077294-A1 R-(-) / S-(+)-7-[3-N SUBSTITUTED AMINO-2 HYDROXYPROPOXY] FLAVONES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2011-03-31 US disclosed
EP-2057137-A1 R-(-) / S-(+)-7-[3-N-SUBSTITUTED AMINO-2-HYDROXYPROPOXY]FLAVONES Council of Scientific and Industrial Research (IN) 2009-05-13 EP disclosed
WO-2008018089-A1 R-(-) / S-(+)-7-[3-N-SUBSTITUTED AMINO-2-HYDROXYPROPOXY] FLAVONES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-02-14 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 (1 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-20110077294-A1 R-(-) / S-(+)-7-[3-N SUBSTITUTED AMINO-2 HYDROXYPROPOXY] FLAVONES HTR7, PNMT, PRMT7 ADRB2 8/4885ADRB1 5/4885ADRB3 13/4885

“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.