SCHEMBL10061363

SCHEMBL10061363

CNCc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.74
MMP13 P45452 3/20 0.59
HSD17B3 P37058 1/20 0.57
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
FOS P01100 1/20 0.51
JUN P05412 1/20 0.51
GSK3B P49841 6/20 0.49
BACE1 P56817 6/20 0.49
TLR9 Q9NR96 2/20 0.49
NPC1 O15118 1/20 0.44

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
SCHEMBL12261585 0.91 MMP8 (0.84) MMP8MMP13HSD17B3HDAC3HDAC4
SCHEMBL607705 0.86 HSD17B3 (0.77) MMP8MMP13HSD17B3HDAC3HDAC4
SCHEMBL607704 0.86 HSD17B3 (0.77) MMP8MMP13HSD17B3HDAC3HDAC4
SCHEMBL10077705 0.85 MMP8 (1.00) MMP8MMP13HSD17B3HDAC3HDAC4
SCHEMBL10061352 0.78 MMP8 (0.67) MMP8MMP13HSD17B3HDAC3HDAC4
SCHEMBL16558599 0.77 MMP8 (0.69) MMP8MMP13HSD17B3HDAC3HDAC4
SCHEMBL10061348 0.76 BACE1 (0.53) MMP8HDAC1HDAC2HDAC8FOS
SCHEMBL608873 0.76 HSD17B3 (0.74) MMP8MMP13HSD17B3HDAC3HDAC4
SCHEMBL608872 0.76 HSD17B3 (0.74) MMP8MMP13HSD17B3HDAC3HDAC4
SCHEMBL4575956 0.76 MMP8 (0.63) MMP8MMP13HDAC3HDAC4HDAC1

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 19 patents. 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-20160106687-A1 HUMAN THERAPEUTIC AGENTS IONS PHARMACEUTICAL S.À R.L. (LU) 2016-04-21 US disclosed
US-20160106722-A1 HUMAN THERAPEUTIC AGENTS IONS PHARMACEUTICAL S.À R.L. (LU) 2016-04-21 US disclosed
US-20160106724-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2016-04-21 US disclosed
US-20160106721-A1 HUMAN THERAPEUTIC AGENTS IONS PHARMACEUTICAL S.À R.L. (LU) 2016-04-21 US disclosed
US-20160039734-A1 THERAPEUTIC CURCUMIN DERIVATIVES STC UNM (US) 2016-02-11 US disclosed
US-9187397-B2 Therapeutic curcumin derivatives STC.UNM (US) 2015-11-17 US disclosed
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES STC.UNM 2015-01-08 US disclosed
US-8841326-B2 Therapeutic curcumin derivatives STC.UNM (US) 2014-09-23 US disclosed
US-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-02-16 US disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 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 (15 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-20160039734-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 MMP8 221/4885MMP13 400/4885HSD17B3 1637/4885
US-20170216222-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT MMP8 1853/4885MMP13 2258/4885HSD17B3 1658/4885
US-20180078535-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT MMP8 1853/4885MMP13 2258/4885HSD17B3 1658/4885
US-20070060644-A1 Therapeutic curcumin derivatives FABP2, GLS2, FABP1 MMP8 221/4885MMP13 400/4885HSD17B3 1637/4885
US-20170042865-A1 THERAPEUTIC COMPOSITIONS CONTAINING CURCUMIN, HARMINE, AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, CPT1A MMP8 968/4885MMP13 1120/4885HSD17B3 1906/4885
US-20170105976-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT MMP8 1853/4885MMP13 2258/4885HSD17B3 1658/4885
US-20170042867-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT MMP8 1853/4885MMP13 2258/4885HSD17B3 1658/4885
US-20170042866-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT MMP8 1853/4885MMP13 2258/4885HSD17B3 1658/4885
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 MMP8 221/4885MMP13 400/4885HSD17B3 1637/4885
US-20160106722-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN MMP8 1414/4885MMP13 1801/4885HSD17B3 2643/4885
US-20170105975-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT MMP8 1853/4885MMP13 2258/4885HSD17B3 1658/4885
US-20160106721-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN MMP8 1414/4885MMP13 1801/4885HSD17B3 2643/4885
US-20160106724-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN MMP8 1414/4885MMP13 1801/4885HSD17B3 2643/4885
US-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE L1CAM, LY96, GMFG MMP8 1650/4885MMP13 1776/4885HSD17B3 4468/4885
US-20160106687-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN MMP8 1414/4885MMP13 1801/4885HSD17B3 2643/4885

“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.