Deoxysappanone B Trimethyl Ether

Deoxysappanone B Trimethyl Ether

SCHEMBL4736096

COc1ccc2c(c1)OCC(Cc1ccc(OC)c(OC)c1)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 1.00
MAPT P10636 5/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
HPGD P15428 2/20 0.81
USP2 O75604 2/20 0.81
ALDH1A1 P00352 2/20 0.81
TP53 P04637 2/20 0.81
ALOX15 P16050 1/20 0.81
ALOX12 P18054 1/20 0.81
CYP19A1 P11511 4/20 0.53
MAPK1 P28482 2/20 0.50
LMNA P02545 1/20 0.50
MAOB P27338 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP26A1 O43174 1/20 0.46
CYP24A1 Q07973 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
Deoxysappanone B Trimethyl Ether SCHEMBL29903817 1.00 CYP3A4 (1.00) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL17297291 0.91 CYP3A4 (0.83) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
Deoxysappanone B 7,3'-Dimethyl Ether Acetate SCHEMBL12998502 0.90 CYP3A4 (1.00) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL29903813 0.90 CYP3A4 (1.00) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4731838 0.90 CYP3A4 (1.00) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL16647710 0.90 CYP3A4 (1.00) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL29903803 0.90 CYP3A4 (1.00) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL16264014 0.84 CYP3A4 (0.72) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL23882776 0.79 CYP3A4 (0.65) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL30251254 0.79 CYP3A4 (0.65) CYP3A4MAPTMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-02 US disclosed
US-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-02 US disclosed
WO-2008067451-A1 NOVEL 3-BENZYLIDINE AND 3-BENZYL SUBSTITUTED CHROMANONES ITHERX PHARMACEUTICALS, INC. (US) 2008-06-05 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-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 CYP3A4 4800/4885MAPT 459/4885MEN1 3909/4885

“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.