SCHEMBL9972303

SCHEMBL9972303

COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OC3CCCCO3)c(OC)c2)ccc1OC1CCCCO1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
GSK3B P49841 3/20 0.50
BACE1 P56817 2/20 0.50
PDE4B Q07343 1/20 0.50
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
JUN P05412 3/20 0.46
NFKB1 P19838 1/20 0.46
GLO1 Q04760 1/20 0.45
NFE2L2 Q16236 1/20 0.45
FOS P01100 1/20 0.45
PTPN1 P18031 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL9907030 0.95 GSK3B (0.59) HDAC1HDAC2HDAC8GSK3BBACE1
SCHEMBL11928818 0.93 HDAC1 (0.51) HDAC1HDAC2HDAC8GSK3BBACE1
SCHEMBL18699324 0.93 HDAC1 (0.48) HDAC1HDAC2HDAC8GSK3BBACE1
SCHEMBL15298347 0.90 HDAC1 (0.48) HDAC1HDAC2HDAC8GSK3BBACE1
SCHEMBL24367560 0.89 KDM4E (0.60) PDE4BALDH1A1KDM4EHPGDALOX15
SCHEMBL30531894 0.89 KDM4E (0.60) PDE4BALDH1A1KDM4EHPGDALOX15
SCHEMBL9013036 0.89 KDM4E (0.60) PDE4BALDH1A1KDM4EHPGDALOX15
SCHEMBL26669477 0.87 NFE2L2 (0.62) HDAC1HDAC2HDAC8GSK3BBACE1
SCHEMBL29503029 0.87 NFE2L2 (0.62) HDAC1HDAC2HDAC8GSK3BBACE1
SCHEMBL20117563 0.85 KMT2A (0.54) PDE4BALDH1A1KDM4EHPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2993165-A2 COMPOUNDS WITH (SUBSTITUTED PHENYL)-PROPENAL MOIETY, THEIR DERIVATIVES, BIOLOGICAL ACTIVITY, AND USE THEREOF Allianz Pharmascience Ltd (TW) 2016-03-09 EP disclosed
US-20150190351-A1 Compounds with (1E, 6E)-1,7-bis-(3,4-dimethoxyphenyl)-4,4-disubstituted-hepta-1,6-diene-3,5-dione structural scaffold, their biological activity, and uses thereof Annji Pharmaceutical Co., Ltd. (TW) 2015-07-09 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-8202905-B2 Compounds with (substituted phenyl)-propenal moiety, their derivatives, biological activity, and use thereof ANDROSCIENCE CORPORATION (US) 2012-06-19 US disclosed
US-8202905-B2 Compounds with (substituted phenyl)-propenal moiety, their derivatives, biological activity, and use thereof ANDROSCIENCE CORPORATION (US) 2012-06-19 US disclosed
US-20100292342-A1 Compounds with (substituted phenyl)-propenal moiety, their derivatives, biological activity, and use thereof Annji Pharmaceutical Co., Ltd. (TW) 2010-11-18 US disclosed
US-20100292342-A1 Compounds with (substituted phenyl)-propenal moiety, their derivatives, biological activity, and use thereof Annji Pharmaceutical Co., Ltd. (TW) 2010-11-18 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-7709535-B2 Curcumin analogues and uses thereof THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-05-04 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
WO-2008085984-A1 COMPOUNDS WITH (SUBSTITUTED PHENYL)-PROPENAL MOIETY, THEIR DERIVATIVES, BIOLOGICAL ACTIVITY, AND USES THEREOF ANDROSCIENCE CORPORATION (US) 2008-07-17 WO disclosed
US-20080161391-A1 NOVEL CURCUMIN ANALOGUES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA (US) 2008-07-03 US disclosed
US-20080161391-A1 NOVEL CURCUMIN ANALOGUES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA (US) 2008-07-03 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20100292342-A1 Compounds with (substituted phenyl)-propenal moiety, their derivatives, biological activity, and use thereof AR, CYP17A1, CYP19A1 HDAC1 59/4885HDAC2 534/4885HDAC8 188/4885
US-20080146660-A1 NOVEL CURCUMIN ANALOGUES AND USES THEREOF AR, NR5A1, BRDT HDAC1 105/4885HDAC2 328/4885HDAC8 82/4885
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
US-20150190351-A1 Compounds with (1E, 6E)-1,7-bis-(3,4-dimethoxyphenyl)-4,4-disubstituted-hepta-1,6-diene-3,5-dione structural scaffold, their biological activity, and uses thereof AR, BRCA1, CYP17A1 HDAC1 136/4885HDAC2 1259/4885HDAC8 191/4885
US-20080161391-A1 NOVEL CURCUMIN ANALOGUES AND USES THEREOF AR, NR5A1, BRDT HDAC1 105/4885HDAC2 328/4885HDAC8 82/4885

“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.