SCHEMBL5085606

SCHEMBL5085606

COc1cc(OC)c2c(c1)C(=O)C[C@H](c1ccc(O)cc1)O2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.63
ALDH1A1 P00352 2/20 0.60
TAS2R31 P59538 2/20 0.60
MAPT P10636 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
ADORA3 P0DMS8 1/20 0.60
ATM Q13315 1/20 0.60
ESR2 Q92731 2/20 0.54
ESR1 P03372 1/20 0.54
ABCG2 Q9UNQ0 2/20 0.54
CYP3A4 P08684 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PTPN1 P18031 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL6723899 0.91 MAOB (0.62) CYP19A1ALDH1A1MAPTABCG2CYP3A4
SCHEMBL773767 0.90 CYP19A1 (0.66) CYP19A1ALDH1A1TAS2R31MAPTTDP1
SCHEMBL3368230 0.90 CYP19A1 (0.59) CYP19A1ALDH1A1TAS2R31MAPTTDP1
SCHEMBL2879029 0.89 ABCG2 (0.67) CYP19A1ALDH1A1MAPTABCG2CYP3A4
SCHEMBL5084282 0.82 ABCG2 (0.68) CYP19A1ALDH1A1TAS2R31MAPTTDP1
SCHEMBL3364494 0.82 MEN1 (0.65) CYP19A1ALDH1A1MAPTABCG2CYP3A4
SCHEMBL5085603 0.81 CYP19A1 (0.82) CYP19A1ALDH1A1TAS2R31MAPTTDP1
SCHEMBL6503931 0.80 POLB (0.62) CYP19A1ALDH1A1MAPTATMABCG2
SCHEMBL14829728 0.80 CYP19A1 (0.65) CYP19A1ALDH1A1TAS2R31MAPTATM
SCHEMBL17318042 0.79 CYP1A1 (0.67) CYP19A1ALDH1A1TAS2R31MAPTTDP1

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
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
WO-2003057210-A1 COMPOSITIONS AND METHODS FOR INCREASING CELL PROLIFERATION COMPRISING A FLAVONOID KIMBERLY-CLARK WORLDWIDE, INC. (US) 2003-07-17 WO disclosed
US-20030125264-A1 Methods For Treating Wounds KIMBERLY-CLARK WORLDWIDE, INC. 2003-07-03 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 CYP19A1 214/4885ALDH1A1 2000/4885TAS2R31 2646/4885
US-20030125264-A1 Methods For Treating Wounds FGF2, MMP1, FIBP CYP19A1 460/4885ALDH1A1 2440/4885TAS2R31 4528/4885

“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.