SCHEMBL9907019

SCHEMBL9907019

COc1cccc(F)c1/C=C/C(=O)/C=C(O)/C=C/c1c(F)cccc1OC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.54
JUN P05412 3/20 0.51
FOS P01100 2/20 0.51
ABCG2 Q9UNQ0 1/20 0.50
GSK3B P49841 4/20 0.49
BACE1 P56817 3/20 0.49
NFE2L2 Q16236 2/20 0.46
TFEB P19484 1/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
BCHE P06276 1/20 0.44
GLO1 Q04760 1/20 0.43

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
SCHEMBL16585405 0.85 KRAS (0.56) KRASABCG2NFE2L2CYP1A1CYP1A2
SCHEMBL16585409 0.85 KRAS (0.56) KRASABCG2NFE2L2CYP1A1CYP1A2
SCHEMBL29090928 0.82 KDM4E (0.57) KRASABCG2BACE1NFE2L2TFEB
SCHEMBL16585553 0.78 KRAS (0.52) KRASABCG2BACE1NFE2L2TFEB
SCHEMBL16585551 0.78 KRAS (0.52) KRASABCG2BACE1NFE2L2TFEB
SCHEMBL3567982 0.78 ABCG2 (0.71) JUNABCG2NFE2L2TFEBCYP1A1
SCHEMBL3567978 0.78 ABCG2 (0.71) JUNABCG2NFE2L2TFEBCYP1A1
SCHEMBL609604 0.76 NFE2L2 (0.78) GSK3BBACE1NFE2L2TFEBCYP1A1
SCHEMBL609603 0.76 NFE2L2 (0.78) GSK3BBACE1NFE2L2TFEBCYP1A1
SCHEMBL20586439 0.75 NFE2L2 (0.55) JUNFOSABCG2GSK3BBACE1

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 KRAS 3792/4885JUN 1899/4885FOS 4526/4885
US-20080161391-A1 NOVEL CURCUMIN ANALOGUES AND USES THEREOF AR, NR5A1, BRDT KRAS 3792/4885JUN 1899/4885FOS 4526/4885
US-20100197784-A1 NOVEL CURCUMIN ANALOGUES AND USES THEREOF AR, NR5A1, BRDT KRAS 3792/4885JUN 1899/4885FOS 4526/4885

“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.