SCHEMBL5084443

SCHEMBL5084443

COc1cc(C2Oc3ccccc3CC2=O)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PTPN1 P18031 2/20 0.48
POLB P06746 1/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP1B1 Q16678 1/20 0.48
ALOX5 P09917 1/20 0.48
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48
CYP19A1 P11511 1/20 0.47
CYP3A4 P08684 1/20 0.47
NR3C1 P04150 1/20 0.46
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45

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
SCHEMBL27183319 0.90 CYP19A1 (0.48) MEN1KMT2AL3MBTL1CYP1A1CYP1A2
SCHEMBL15453036 0.87 PTPN1 (0.56) MEN1GAAKMT2AL3MBTL1PTPN1
SCHEMBL6575792 0.84 ALOX5 (0.44) MEN1GAAKMT2APTPN1POLB
SCHEMBL27205430 0.84 PTPN1 (0.47) MEN1GAAKMT2AL3MBTL1PTPN1
SCHEMBL28464161 0.80 CYP1A1 (0.53) MEN1GAAKMT2AL3MBTL1PTPN1
SCHEMBL4163507 0.80 GABRA1 (0.47) MEN1GAAKMT2AL3MBTL1POLB
SCHEMBL6509060 0.80 CYP1A1 (0.56) MEN1GAAKMT2APTPN1POLB
SCHEMBL127705 0.79 MAPT (0.52) CYP19A1CYP3A4GABRA1GABRB2
SCHEMBL11252782 0.79 LMNA (0.53) MEN1KMT2APOLBCYP19A1CYP3A4
SCHEMBL2283832 0.77 CYP3A4 (0.49) MEN1KMT2ACYP1A1CYP1A2CYP1B1

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 MEN1 4281/4885GAA 2799/4885KMT2A 4362/4885

“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.