SCHEMBL11928824

SCHEMBL11928824

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.68
▸ HDAC2 Q92769 4/20 0.68
▸ HDAC8 Q9BY41 4/20 0.68
▸ GSK3B P49841 4/20 0.62
▸ KDM4E B2RXH2 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ BACE1 P56817 3/20 0.58
▸ NFE2L2 Q16236 2/20 0.57
▸ NFKB1 P19838 3/20 0.56
▸ JUN P05412 2/20 0.56
▸ CA2 P00918 1/20 0.54
▸ CYP1A2 P05177 1/20 0.53
▸ ALOX5 P09917 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ HSD11B1 P28845 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
SCHEMBL11928814 1.00 HDAC1 (0.68) HDAC1HDAC2HDAC8GSK3BKDM4E
SCHEMBL13358184 0.94 HDAC1 (0.67) HDAC1HDAC2HDAC8GSK3BKDM4E
SCHEMBL9972320 0.94 HDAC1 (0.67) HDAC1HDAC2HDAC8GSK3BKDM4E
SCHEMBL13324433 0.92 NFE2L2 (0.66) HDAC1HDAC2HDAC8KDM4EALDH1A1
Dimethylcurcumin SCHEMBL3487103 0.89 HDAC1 (0.78) HDAC1HDAC2HDAC8GSK3BKDM4E
Dimethylcurcumin SCHEMBL29354872 0.89 HDAC1 (0.78) HDAC1HDAC2HDAC8GSK3BKDM4E
Dimethylcurcumin SCHEMBL3487105 0.89 HDAC1 (0.78) HDAC1HDAC2HDAC8GSK3BKDM4E
Dimethylcurcumin SCHEMBL3686107 0.89 HDAC1 (0.78) HDAC1HDAC2HDAC8GSK3BKDM4E
SCHEMBL15298306 0.87 HDAC1 (0.58) HDAC1HDAC2HDAC8GSK3BKDM4E
SCHEMBL14606219 0.87 NFE2L2 (0.62) HDAC1HDAC2HDAC8KDM4EALDH1A1

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-8841326-B2 Therapeutic curcumin derivatives STC.UNM (US) 2014-09-23 — — US disclosed
US-8236852-B2 Drugs/cosmetics having at least one (substituted phenyl)-propenal moiety; bioavailability' water solubility; antiandrogens; antiinflammatory and wound healing agents; antiarthritic agents; acne; alopecia, hirsutism; anticarcinogenic agents; cancer of the bladder, liver, breast; Kennedy's disease ANDROSCIENCE CORPORATION (US) 2012-08-07 — — US disclosed
US-20080188557-A1 Compounds with (substituted phenyl)-propenal moiety, their derivatives, biological activity, and use thereof Annji Pharmaceutical Co., Ltd. (TW) 2008-08-07 — — 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-20070060644-A1 Therapeutic curcumin derivatives FABP2, GLS2, FABP1 HDAC1 345/4885HDAC2 608/4885HDAC8 521/4885
US-20080188557-A1 Compounds with (substituted phenyl)-propenal moiety, their derivatives, biological activity, and use thereof AR, CYP17A1, CYP19A1 HDAC1 59/4885HDAC2 534/4885HDAC8 188/4885

“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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