SCHEMBL4831492

SCHEMBL4831492

COc1ccc(/C=C/C(=O)c2c(OC)cc(O)c(CC=C(C)C)c2OC)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 10/20 0.74
ALOX5 P09917 2/20 0.70
PDPK1 O15530 1/20 0.70
TTR P02766 1/20 0.70
ABCG2 Q9UNQ0 2/20 0.60
TDP1 Q9NUW8 1/20 0.59
CYP19A1 P11511 2/20 0.57
PTGS2 P35354 1/20 0.57
SLC5A1 P13866 1/20 0.54
SLC5A2 P31639 1/20 0.54
NFKB1 P19838 1/20 0.54
DPP4 P27487 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
MAOB P27338 1/20 0.53
KMT2A Q03164 1/20 0.53
TP53 P04637 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
SCHEMBL4831500 1.00 ABCB1 (0.74) ABCB1ALOX5PDPK1TTRABCG2
SCHEMBL30630210 0.85 PDPK1 (0.93) ABCB1ALOX5PDPK1TTRMEN1
SCHEMBL26539037 0.85 PDPK1 (0.93) ABCB1ALOX5PDPK1TTRMEN1
SCHEMBL5519605 0.85 ABCB1 (1.00) ABCB1ALOX5PDPK1TTRTDP1
SCHEMBL5519601 0.85 ABCB1 (1.00) ABCB1ALOX5PDPK1TTRTDP1
SCHEMBL13663232 0.84 ABCB1 (0.74) ABCB1ALOX5PDPK1TTRABCG2
SCHEMBL17585477 0.83 PDPK1 (0.64) ABCB1ALOX5PDPK1TTRMEN1
Xanthohumol SCHEMBL738122 0.83 PDPK1 (1.00) ABCB1ALOX5PDPK1TTRNFKB1
Xanthohumol SCHEMBL30169731 0.83 PDPK1 (1.00) ABCB1ALOX5PDPK1TTRNFKB1
Xanthohumol SCHEMBL143683 0.83 PDPK1 (1.00) ABCB1ALOX5PDPK1TTRNFKB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326734-B2 Treatment of bladder and urinary tract cancers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-02-05 US claimed
US-20040259813-A1 Treatment of bladder and urinary tract cancers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-12-23 US claimed
US-7326734-B2 Treatment of bladder and urinary tract cancers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-02-05 US disclosed
US-20040259813-A1 Treatment of bladder and urinary tract cancers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-12-23 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-20040259813-A1 Treatment of bladder and urinary tract cancers KLK5, KLK4, KLK6 ABCB1 1036/4885ALOX5 2215/4885PDPK1 279/4885

“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.