SCHEMBL684391

SCHEMBL684391

COc1cc(C)c(OC)c(O)c1C(C)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.64
MAPK1 P28482 2/20 0.50
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.47
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
GFER P55789 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KCNA3 P22001 2/20 0.43
HTT P42858 2/20 0.42
GAA P10253 1/20 0.41
PKM P14618 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL11321057 0.86 CYP3A4 (0.54) CYP3A4MAPK1USP2SMN1; SMN2LMNA
SCHEMBL679428 0.85 CYP3A4 (0.68) CYP3A4MAPK1USP2SMN1; SMN2LMNA
SCHEMBL9752762 0.81 CYP3A4 (0.78) CYP3A4MAPK1USP2SMN1; SMN2LMNA
SCHEMBL29664473 0.78 CYP3A4 (0.58) CYP3A4MAPK1USP2SMN1; SMN2LMNA
SCHEMBL13601793 0.78 CYP3A4 (1.00) CYP3A4MAPK1USP2SMN1; SMN2LMNA
SCHEMBL684134 0.77 MAPT (0.48) CYP3A4LMNAPOLBMAPTKMT2A
SCHEMBL9752827 0.77 CYP3A4 (0.60) CYP3A4MAPK1USP2SMN1; SMN2LMNA
SCHEMBL31055010 0.76 CYP3A4 (0.77) CYP3A4MAPK1USP2SMN1; SMN2LMNA
SCHEMBL28132534 0.76 CYP3A4 (0.77) CYP3A4MAPK1USP2SMN1; SMN2LMNA
SCHEMBL16226897 0.76 CYP3A4 (0.56) CYP3A4MAPK1USP2SMN1; SMN2LMNA

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-20130129832-A1 COGNITIVE IMPAIRMENT AMELIORANT TOHOKU UNIVERSITY (JP) 2013-05-23 US disclosed
US-20110287106-A1 COGNITIVE IMPAIRMENT AMELIORANT JAPAN ROYAL JELLEY CO., LTD. (JP) 2011-11-24 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-20130129832-A1 COGNITIVE IMPAIRMENT AMELIORANT CHAT, ACHE, PSEN1 CYP3A4 4098/4885MAPK1 2783/4885USP2 2016/4885
US-20110287106-A1 COGNITIVE IMPAIRMENT AMELIORANT CHAT, ACHE, PSEN1 CYP3A4 4098/4885MAPK1 2783/4885USP2 2016/4885

“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.