SCHEMBL5138118

SCHEMBL5138118

COc1cccc(-c2oc3ccc(OC)cc3c(=O)c2O)c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.84
TP53 P04637 4/20 0.84
SMN1; SMN2 Q16637 3/20 0.84
CSNK2A2 P19784 2/20 0.84
CSNK2B P67870 2/20 0.84
CSNK2A1 P68400 2/20 0.84
KDM4E B2RXH2 10/20 0.81
CYP3A4 P08684 8/20 0.81
HPGD P15428 6/20 0.81
MEN1 O00255 5/20 0.81
KMT2A Q03164 5/20 0.81
CYP2D6 P10635 4/20 0.81
CYP2C9 P11712 4/20 0.81
CYP2C19 P33261 4/20 0.81
TSHR P16473 3/20 0.81
TDP1 Q9NUW8 2/20 0.81
ALOX12 P18054 1/20 0.81
MAPK1 P28482 1/20 0.81
ALDH1A1 P00352 7/20 0.62
HSD17B10 Q99714 5/20 0.62

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
SCHEMBL15676583 0.91 KDM4E (0.74) MAPTTP53SMN1; SMN2CSNK2A2CSNK2B
SCHEMBL2121813 0.91 KDM4E (0.74) MAPTTP53SMN1; SMN2CSNK2A2CSNK2B
SCHEMBL17786490 0.90 MAPT (0.77) MAPTTP53SMN1; SMN2CSNK2A2CSNK2B
SCHEMBL30667386 0.90 KDM4E (1.00) MAPTTP53SMN1; SMN2CSNK2A2CSNK2B
SCHEMBL5139273 0.90 CYP3A4 (0.81) MAPTTP53SMN1; SMN2CSNK2A2CSNK2B
SCHEMBL4649962 0.90 KDM4E (1.00) MAPTTP53SMN1; SMN2CSNK2A2CSNK2B
SCHEMBL4650608 0.88 CSNK2A2 (0.82) MAPTTP53SMN1; SMN2CSNK2A2CSNK2B
SCHEMBL10037934 0.87 MAPT (0.76) MAPTTP53SMN1; SMN2CSNK2A2CSNK2B
SCHEMBL10068185 0.87 KDM4E (0.73) MAPTTP53SMN1; SMN2CSNK2A2CSNK2B
SCHEMBL7659274 0.86 ADORA3 (0.81) MAPTTP53SMN1; SMN2CSNK2A2CSNK2B

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
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 WO disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 MAPT 4566/4885TP53 3361/4885SMN1; SMN2 3973/4885

“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.