SCHEMBL9907003

SCHEMBL9907003

COc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OC)c(OC)c2OC)c(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.64
NFE2L2 Q16236 3/20 0.59
CYP1A1 P04798 3/20 0.57
CYP1B1 Q16678 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CHRNA7 P36544 1/20 0.52
CYP3A4 P08684 1/20 0.52
GSK3B P49841 2/20 0.51
BACE1 P56817 2/20 0.51
HDAC1 Q13547 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL20585385 1.00 ABCG2 (0.64) ABCG2NFE2L2CYP1A1CYP1B1CYP1A2
SCHEMBL9907008 0.90 HDAC1 (0.63) ABCG2NFE2L2CYP1A1CYP1B1SMN1; SMN2
SCHEMBL2744097 0.89 ABCG2 (0.73) ABCG2NFE2L2CYP1A1CYP1B1CYP1A2
SCHEMBL2743991 0.89 ABCG2 (0.73) ABCG2NFE2L2CYP1A1CYP1B1CYP1A2
SCHEMBL9907023 0.88 ABCG2 (0.64) ABCG2NFE2L2CYP1A1CYP1B1CYP1A2
SCHEMBL14571866 0.87 NFE2L2 (0.80) NFE2L2CYP1A1CYP1A2CYP2D6NPC1
SCHEMBL10468803 0.85 ABCG2 (0.64) ABCG2NFE2L2CYP1A1CYP1B1CYP1A2
SCHEMBL10468802 0.85 ABCG2 (0.64) ABCG2NFE2L2CYP1A1CYP1B1CYP1A2
SCHEMBL285232 0.84 ABCG2 (0.71) ABCG2NFE2L2CYP1A1CYP1B1CYP1A2
SCHEMBL285231 0.84 ABCG2 (0.71) ABCG2NFE2L2CYP1A1CYP1B1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117907-B2 Curcuminoid-inspired synthetic compounds as anti-tumor agents UNIVERSITY OF NORTH FLORIDA BOARD OF TRUSTEES (US) 2021-09-14 US disclosed
US-20210087208-A1 NOVEL CURCUMINOID-INSPIRED SYNTHETIC COMPOUNDS AS ANTI-TUMOR AGENTS UNIVERSITY OF NORTH FLORIDA BOARD OF TRUSTEES (US) 2021-03-25 US disclosed
US-10934241-B2 Curcuminoid-inspired synthetic compounds as anti-tumor agents UNIVERSITY OF NORTH FLORIDA BOARD OF TRUSTEES (US) 2021-03-02 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-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 (6 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 ABCG2 679/4885NFE2L2 1264/4885CYP1A1 353/4885
US-11117907-B2 Curcuminoid-inspired synthetic compounds as anti-tumor agents FOXO3, IKZF3, FOXO1 ABCG2 445/4885NFE2L2 92/4885CYP1A1 1159/4885
US-20210087208-A1 NOVEL CURCUMINOID-INSPIRED SYNTHETIC COMPOUNDS AS ANTI-TUMOR AGENTS IKZF3, FOXO3, FOXO1 ABCG2 609/4885NFE2L2 68/4885CYP1A1 1161/4885
US-20080161391-A1 NOVEL CURCUMIN ANALOGUES AND USES THEREOF AR, NR5A1, BRDT ABCG2 679/4885NFE2L2 1264/4885CYP1A1 353/4885
US-10934241-B2 Curcuminoid-inspired synthetic compounds as anti-tumor agents FOXO3, FOXO1, IKZF3 ABCG2 1020/4885NFE2L2 204/4885CYP1A1 1653/4885
US-20100197784-A1 NOVEL CURCUMIN ANALOGUES AND USES THEREOF AR, NR5A1, BRDT ABCG2 679/4885NFE2L2 1264/4885CYP1A1 353/4885

“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.