SCHEMBL13663232

SCHEMBL13663232

COc1ccc(/C=C/C(=O)c2c(O)cc(O)c(CC=C(C)C)c2O)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 9/20 0.74
ALOX5 P09917 2/20 0.71
PDPK1 O15530 1/20 0.71
TTR P02766 1/20 0.71
MGAM O43451 1/20 0.66
CYP19A1 P11511 3/20 0.63
PTGS2 P35354 1/20 0.63
SLC5A1 P13866 1/20 0.60
SLC5A2 P31639 1/20 0.60
ABCG2 Q9UNQ0 1/20 0.57
PTPN1 P18031 1/20 0.54
DHODH Q02127 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
SMPD1 P17405 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
Demethylxanthohumol SCHEMBL1023989 0.88 MGAM (0.81) ABCB1ALOX5PDPK1TTRMGAM
Demethylxanthohumol SCHEMBL31051585 0.88 MGAM (0.81) ABCB1ALOX5PDPK1TTRMGAM
Demethylxanthohumol SCHEMBL4834910 0.88 MGAM (0.81) ABCB1ALOX5PDPK1TTRMGAM
SCHEMBL26539037 0.86 PDPK1 (0.93) ABCB1ALOX5PDPK1TTRMGAM
SCHEMBL30630210 0.86 PDPK1 (0.93) ABCB1ALOX5PDPK1TTRMGAM
SCHEMBL5519605 0.85 ABCB1 (1.00) ABCB1ALOX5PDPK1TTRTDP1
SCHEMBL5519601 0.85 ABCB1 (1.00) ABCB1ALOX5PDPK1TTRTDP1
SCHEMBL4831492 0.84 ABCB1 (0.74) ABCB1ALOX5PDPK1TTRCYP19A1
SCHEMBL4831500 0.84 ABCB1 (0.74) ABCB1ALOX5PDPK1TTRCYP19A1
Xanthogalenol SCHEMBL4837290 0.83 PDPK1 (0.84) ABCB1ALOX5PDPK1TTRMGAM

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-20090270423-A1 ANTIBACTERIAL SMALL MOLECULES AND METHODS FOR THEIR SYNTHESIS NATIONAL SCIENCE FOUNDATION 2009-10-29 US disclosed
US-20090270423-A1 ANTIBACTERIAL SMALL MOLECULES AND METHODS FOR THEIR SYNTHESIS NATIONAL SCIENCE FOUNDATION 2009-10-29 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 (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-20090270423-A1 ANTIBACTERIAL SMALL MOLECULES AND METHODS FOR THEIR SYNTHESIS CLSPN, FDPS, DHPS ABCB1 227/4885ALOX5 2114/4885PDPK1 2139/4885

“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.