SCHEMBL19418882

SCHEMBL19418882

COc1ccc(C2COc3cc(OC)ccc3C2O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.54
USP2 O75604 1/20 0.54
MAPT P10636 2/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 1/20 0.46
LTB4R Q15722 3/20 0.46
LTB4R2 Q9NPC1 3/20 0.46
ALOX15 P16050 2/20 0.45
ALOX12 P18054 2/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP19A1 P11511 1/20 0.42
ABCB1 P08183 2/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 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
SCHEMBL2070036 0.91 CYP3A4 (0.53) CYP3A4USP2MAPTMAPK1TDP1
SCHEMBL7500860 0.91 CYP3A4 (0.53) CYP3A4USP2MAPTMAPK1TDP1
SCHEMBL2070035 0.91 CYP3A4 (0.53) CYP3A4USP2MAPTMAPK1TDP1
SCHEMBL2070355 0.89 CYP3A4 (0.46) CYP3A4USP2MAPTMAPK1TDP1
SCHEMBL2070356 0.89 CYP3A4 (0.46) CYP3A4USP2MAPTMAPK1TDP1
SCHEMBL2070802 0.89 CYP3A4 (0.46) CYP3A4USP2MAPTMAPK1TDP1
SCHEMBL2070800 0.89 CYP3A4 (0.46) CYP3A4USP2MAPTMAPK1TDP1
SCHEMBL12946428 0.88 CYP3A4 (0.47) CYP3A4USP2MAPTMAPK1TDP1
SCHEMBL24103715 0.85 MAPT (0.53) CYP3A4USP2MAPTMAPK1TDP1
SCHEMBL30362815 0.85 MAPT (0.53) CYP3A4USP2MAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10030003-B2 Synthesis of isoflavanes and intermediates thereof SYSTEM BIOLOGIE AG (CH) 2018-07-24 US disclosed
US-20170283389-A1 Synthesis of Isoflavanes and Intermediates Thereof SYSTEM BIOLOGIE AG (CH) 2017-10-05 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-10030003-B2 Synthesis of isoflavanes and intermediates thereof CYP4B1, CYP51A1, CYP4A11 CYP3A4 6/4885USP2 3635/4885MAPT 4096/4885
US-20170283389-A1 Synthesis of Isoflavanes and Intermediates Thereof CYP4B1, CYP51A1, CYP4A11 CYP3A4 6/4885USP2 3635/4885MAPT 4096/4885

“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.