SCHEMBL13324431

SCHEMBL13324431

COc1cc(/C=C/C(=O)/C=C/c2ccc(O)c(CO)c2)ccc1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.83
MMP9 P14780 3/20 0.83
MMP2 P08253 3/20 0.83
MMP8 P22894 2/20 0.83
CYP2D6 P10635 3/20 0.78
CYP1A2 P05177 2/20 0.78
ALOX5 P09917 2/20 0.78
HSD11B1 P28845 2/20 0.78
STAT3 P40763 2/20 0.78
NFKB2 Q00653 2/20 0.78
RELA Q04206 2/20 0.78
NFE2L2 Q16236 2/20 0.78
MMP13 P45452 2/20 0.72
APP P05067 4/20 0.66
MAOB P27338 3/20 0.66
MAPT P10636 3/20 0.66
CYP2C9 P11712 2/20 0.66
TSHR P16473 2/20 0.66
HSD17B10 Q99714 2/20 0.66
KDM4E B2RXH2 2/20 0.66

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
SCHEMBL17014665 0.94 NFKB1 (0.74) NFKB1MMP9MMP2MMP8CYP2D6
SCHEMBL4544307 0.91 MMP2 (0.74) NFKB1MMP9MMP2MMP8CYP2D6
SCHEMBL11928819 0.91 MMP2 (0.74) NFKB1MMP9MMP2MMP8CYP2D6
SCHEMBL13446382 0.91 MMP2 (0.74) NFKB1MMP9MMP2MMP8CYP2D6
SCHEMBL15581510 0.91 NFKB1 (0.72) NFKB1MMP9MMP2MMP8CYP2D6
SCHEMBL10077702 0.91 MMP9 (1.00) NFKB1MMP9MMP2MMP8CYP2D6
SCHEMBL12565705 0.91 MMP9 (1.00) NFKB1MMP9MMP2MMP8CYP2D6
SCHEMBL13125782 0.91 MMP9 (1.00) NFKB1MMP9MMP2MMP8CYP2D6
SCHEMBL16203057 0.91 MMP9 (1.00) NFKB1MMP9MMP2MMP8CYP2D6
SCHEMBL15171945 0.89 MMP9 (0.77) NFKB1MMP9MMP2MMP8CYP2D6

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180078535-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF IONS PHARMACEUTICAL S.À R.L. (LU) 2018-03-22 US disclosed
US-9907786-B2 Therapeutic compositions containing harmine and isovanillin components, and methods of use thereof IONS PHARMACEUTICAL S.À R.L. (LU) 2018-03-06 US disclosed
US-20170216222-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF IONS PHARMACEUTICAL S.À R.L. (LU) 2017-08-03 US disclosed
US-20170105976-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF Ions Pharmaceutical S.à r.I. (LU) 2017-04-20 US disclosed
US-20170105975-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF IONS PHARMACEUTICAL S.À R.L. (LU) 2017-04-20 US disclosed
US-20170042865-A1 THERAPEUTIC COMPOSITIONS CONTAINING CURCUMIN, HARMINE, AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF IONS PHARMACEUTICAL S.À R.L. (LU) 2017-02-16 US disclosed
US-20170042867-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF IONS PHARMACEUTICAL S.À R.L. (LU) 2017-02-16 US disclosed
US-20170042866-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF IONS PHARMACEUTICAL S.À R.L. (LU) 2017-02-16 US disclosed
US-9402834-B2 Human therapeutic agents IONS PHARMACEUTICAL S.À R.L. (LU) 2016-08-02 US disclosed
US-20160106724-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2016-04-21 US disclosed
US-9254249-B2 Ultraviolet absorber KAO CORPORATION (JP) 2016-02-09 US disclosed
US-20160009623-A1 Lipophilic Curcumin Analogs And Methods Of Inhibiting HIV-1, Treating Latent HIV In The Brain, And Preventing HIV-Mediated Cognitive Decline And HIV Dementia HOWARD UNIVERSITY 2016-01-14 US disclosed
US-9187397-B2 Therapeutic curcumin derivatives STC.UNM (US) 2015-11-17 US disclosed
US-9012490-B2 Lipophilic curcumin analogs and methods of inhibiting HIV-1, treating latent HIV in the brain, and preventing HIV-mediated cognitive decline and HIV dementia HOWARD UNIVERSITY (US) 2015-04-21 US disclosed
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES STC.UNM 2015-01-08 US disclosed
US-20140079653-A1 ULTRAVIOLET ABSORBER KAO CORPORATION (JP) 2014-03-20 US disclosed
US-20140051742-A1 Lipophilic Curcumin Analogs And Methods Of Inhibiting HIV-1, Treating Latent HIV In The Brain, And Preventing HIV-Mediated Cognitive Decline And HIV Dementia HOWARD UNIVERSITY 2014-02-20 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-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

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

For each of this compound's patents that has machine-readable text (13 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 NFKB1 1410/4885MMP9 2476/4885MMP2 2144/4885
US-20170216222-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT NFKB1 1602/4885MMP9 2837/4885MMP2 1432/4885
US-20180078535-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT NFKB1 1602/4885MMP9 2837/4885MMP2 1432/4885
US-20170042865-A1 THERAPEUTIC COMPOSITIONS CONTAINING CURCUMIN, HARMINE, AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, CPT1A NFKB1 1171/4885MMP9 1554/4885MMP2 586/4885
US-20170105976-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT NFKB1 1602/4885MMP9 2837/4885MMP2 1432/4885
US-20140079653-A1 ULTRAVIOLET ABSORBER ERCC1, UNG, ERCC4 NFKB1 1766/4885MMP9 2212/4885MMP2 2691/4885
US-20160009623-A1 Lipophilic Curcumin Analogs And Methods Of Inhibiting HIV-1, Treating Latent HIV In The Brain, And Preventing HIV-Mediated Cognitive Decline And HIV Dementia BACE1, GAA, GLA NFKB1 365/4885MMP9 93/4885MMP2 27/4885
US-20170042867-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT NFKB1 1602/4885MMP9 2837/4885MMP2 1432/4885
US-20170042866-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT NFKB1 1602/4885MMP9 2837/4885MMP2 1432/4885
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 NFKB1 418/4885MMP9 1372/4885MMP2 399/4885
US-20170105975-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT NFKB1 1602/4885MMP9 2837/4885MMP2 1432/4885
US-20160106724-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN NFKB1 841/4885MMP9 3366/4885MMP2 899/4885
US-20140051742-A1 Lipophilic Curcumin Analogs And Methods Of Inhibiting HIV-1, Treating Latent HIV In The Brain, And Preventing HIV-Mediated Cognitive Decline And HIV Dementia BACE1, GAA, GLA NFKB1 365/4885MMP9 93/4885MMP2 27/4885

“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.