SCHEMBL13324433

SCHEMBL13324433

COc1ccc(/C=C/C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1CO

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 2/20 0.66
▸ NFKB1 P19838 3/20 0.65
▸ JUN P05412 1/20 0.65
▸ KDM4E B2RXH2 2/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ HPGD P15428 1/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ HSD17B10 Q99714 1/20 0.63
▸ CYP1A2 P05177 1/20 0.61
▸ ALOX5 P09917 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ HSD11B1 P28845 1/20 0.61
▸ STAT3 P40763 1/20 0.61
▸ NFKB2 Q00653 1/20 0.61
▸ RELA Q04206 1/20 0.61
▸ CA2 P00918 1/20 0.61
▸ KMT2A Q03164 3/20 0.60
▸ ABCG2 Q9UNQ0 2/20 0.60

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
SCHEMBL14606219 0.94 NFE2L2 (0.62) NFE2L2NFKB1JUNKDM4EALDH1A1
SCHEMBL11928814 0.92 HDAC1 (0.68) NFE2L2NFKB1JUNKDM4EALDH1A1
SCHEMBL11928824 0.92 HDAC1 (0.68) NFE2L2NFKB1JUNKDM4EALDH1A1
SCHEMBL16382601 0.90 NFKB1 (0.80) NFE2L2NFKB1JUNKDM4EALDH1A1
SCHEMBL2743877 0.89 NFKB1 (0.79) NFE2L2NFKB1JUNKDM4EALDH1A1
SCHEMBL30493821 0.89 NFKB1 (0.79) NFE2L2NFKB1JUNKDM4EALDH1A1
SCHEMBL2743876 0.89 NFKB1 (0.79) NFE2L2NFKB1JUNKDM4EALDH1A1
SCHEMBL9907028 0.88 NFE2L2 (0.62) NFE2L2NFKB1JUNKDM4EALDH1A1
SCHEMBL9972320 0.86 HDAC1 (0.67) NFE2L2NFKB1JUNKDM4EALDH1A1
SCHEMBL13358184 0.86 HDAC1 (0.67) NFE2L2NFKB1JUNKDM4EALDH1A1

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
US-8841326-B2 Therapeutic curcumin derivatives STC.UNM (US) 2014-09-23 — — US disclosed
US-7709535-B2 Curcumin analogues and uses thereof THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-05-04 — — US disclosed
US-20080146660-A1 NOVEL CURCUMIN ANALOGUES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-06-19 — — US disclosed
US-7355081-B2 androgen receptor antagonists; certain cancers, baldness, hirsutism, behavioral disorders, acne, and inhibition of spermatogenesis if so desired THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-04-08 — — US disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 — — 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-20080146660-A1 NOVEL CURCUMIN ANALOGUES AND USES THEREOF AR, NR5A1, BRDT NFE2L2 1264/4885NFKB1 1410/4885JUN 1899/4885
US-20070060644-A1 Therapeutic curcumin derivatives FABP2, GLS2, FABP1 NFE2L2 75/4885NFKB1 418/4885JUN 2204/4885

“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.

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