SCHEMBL9907006

SCHEMBL9907006

COc1cc(OC)c(OC)cc1/C=C/C(O)=C/C(=O)/C=C/c1ccc(OC)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.67
HDAC2 Q92769 3/20 0.67
HDAC8 Q9BY41 3/20 0.67
GSK3B P49841 3/20 0.61
NFE2L2 Q16236 3/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
MAPK1 P28482 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HSD17B10 Q99714 1/20 0.61
BACE1 P56817 2/20 0.60
CYP1A1 P04798 1/20 0.60
CYP1B1 Q16678 1/20 0.60
JUN P05412 2/20 0.56
NFKB1 P19838 2/20 0.56
KMT2A Q03164 2/20 0.55
ABCG2 Q9UNQ0 2/20 0.55
MEN1 O00255 1/20 0.55

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
Dimethylcurcumin SCHEMBL3487103 0.92 HDAC1 (0.78) HDAC1HDAC2HDAC8GSK3BNFE2L2
Dimethylcurcumin SCHEMBL29354872 0.92 HDAC1 (0.78) HDAC1HDAC2HDAC8GSK3BNFE2L2
Dimethylcurcumin SCHEMBL3487105 0.92 HDAC1 (0.78) HDAC1HDAC2HDAC8GSK3BNFE2L2
Dimethylcurcumin SCHEMBL3686107 0.92 HDAC1 (0.78) HDAC1HDAC2HDAC8GSK3BNFE2L2
SCHEMBL18758184 0.88 HDAC1 (0.66) HDAC1HDAC2HDAC8GSK3BNFE2L2
SCHEMBL9907008 0.86 HDAC1 (0.63) HDAC1HDAC2HDAC8GSK3BNFE2L2
Dimethylcurcumin SCHEMBL2528940 0.85 HDAC1 (0.69) HDAC1HDAC2HDAC8GSK3BNFE2L2
SCHEMBL16888009 0.85 GSK3B (0.81) HDAC1HDAC2HDAC8GSK3BNFE2L2
Dimethylcurcumin SCHEMBL2528943 0.85 HDAC1 (0.69) HDAC1HDAC2HDAC8GSK3BNFE2L2
SCHEMBL14112832 0.85 HDAC1 (0.69) HDAC1HDAC2HDAC8GSK3BNFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198323-B2 Curcumin analogues and uses thereof THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-06-12 US disclosed
US-8198323-B2 Curcumin analogues and uses thereof THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-06-12 US disclosed
US-20100197784-A1 NOVEL CURCUMIN ANALOGUES AND USES THEREOF The University of North Carlina at Chapel Hill (US) 2010-08-05 US disclosed
US-20100197784-A1 NOVEL CURCUMIN ANALOGUES AND USES THEREOF The University of North Carlina at Chapel Hill (US) 2010-08-05 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-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 (3 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 HDAC1 105/4885HDAC2 328/4885HDAC8 82/4885
US-20080161391-A1 NOVEL CURCUMIN ANALOGUES AND USES THEREOF AR, NR5A1, BRDT HDAC1 105/4885HDAC2 328/4885HDAC8 82/4885
US-20100197784-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.