SCHEMBL9907017

SCHEMBL9907017

O=C(/C=C(O)/C=C/c1ccc(F)cc1F)/C=C/c1ccc(F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.53
BACE1 P56817 5/20 0.53
CYP1A1 P04798 1/20 0.51
CYP1B1 Q16678 1/20 0.51
MIF P14174 1/20 0.50
NFE2L2 Q16236 4/20 0.47
TLR9 Q9NR96 1/20 0.45
FOS P01100 1/20 0.44
JUN P05412 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
KCNH2 Q12809 2/20 0.42
HSD11B1 P28845 1/20 0.42
TDO2 P48775 1/20 0.41

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
SCHEMBL3573369 0.88 CYP1A1 (0.58) CYP1A1CYP1B1MIFNFE2L2PTGS1
SCHEMBL3573370 0.88 CYP1A1 (0.58) CYP1A1CYP1B1MIFNFE2L2PTGS1
SCHEMBL716630 0.82 MIF (0.71) CYP1A1CYP1B1MIFNFE2L2PTGS1
SCHEMBL716629 0.82 MIF (0.71) CYP1A1CYP1B1MIFNFE2L2PTGS1
SCHEMBL1920415 0.82 MIF (0.71) CYP1A1CYP1B1MIFNFE2L2PTGS1
SCHEMBL29407005 0.82 MIF (0.71) CYP1A1CYP1B1MIFNFE2L2PTGS1
Hydrochloric Acid SCHEMBL6822230 0.81 MIF (0.69) CYP1A1CYP1B1MIFNFE2L2PTGS1
SCHEMBL9909127 0.80 GSK3B (0.60) GSK3BBACE1CYP1A1CYP1B1FOS
SCHEMBL20586529 0.79 MAOB (0.53) GSK3BBACE1CYP1A1CYP1B1NFE2L2
SCHEMBL608597 0.78 JUN (0.57) GSK3BBACE1NFE2L2FOSJUN

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 GSK3B 2794/4885BACE1 3684/4885CYP1A1 353/4885
US-20080161391-A1 NOVEL CURCUMIN ANALOGUES AND USES THEREOF AR, NR5A1, BRDT GSK3B 2794/4885BACE1 3684/4885CYP1A1 353/4885
US-20100197784-A1 NOVEL CURCUMIN ANALOGUES AND USES THEREOF AR, NR5A1, BRDT GSK3B 2794/4885BACE1 3684/4885CYP1A1 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.