SCHEMBL10061364

SCHEMBL10061364

COc1ccc(/C=C/C(O)=C/C(=O)/C=C/c2ccc(CO)c(O)c2)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.59
HDAC2 Q92769 4/20 0.59
HDAC8 Q9BY41 4/20 0.59
BACE1 P56817 4/20 0.59
GSK3B P49841 4/20 0.59
APP P05067 1/20 0.54
MAPT P10636 1/20 0.54
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53
TUBB2A Q13885 1/20 0.53
TUBB8 Q3ZCM7 1/20 0.53
TUBA3E Q6PEY2 1/20 0.53
TUBA1A Q71U36 1/20 0.53
TUBA1C Q9BQE3 1/20 0.53
TUBB6 Q9BUF5 1/20 0.53

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
SCHEMBL608770 0.90 BACE1 (0.70) HDAC1HDAC2HDAC8BACE1GSK3B
SCHEMBL608769 0.90 BACE1 (0.70) HDAC1HDAC2HDAC8BACE1GSK3B
SCHEMBL15781551 0.85 MAPT (0.74) HDAC1HDAC2HDAC8BACE1GSK3B
SCHEMBL29332643 0.85 GSK3B (0.79) HDAC1HDAC2HDAC8BACE1GSK3B
SCHEMBL13358175 0.85 GSK3B (0.71) HDAC1HDAC2HDAC8BACE1GSK3B
SCHEMBL16884580 0.85 GSK3B (0.71) HDAC1HDAC2HDAC8BACE1GSK3B
SCHEMBL9972320 0.84 HDAC1 (0.67) HDAC1HDAC2HDAC8BACE1GSK3B
SCHEMBL13358184 0.84 HDAC1 (0.67) HDAC1HDAC2HDAC8BACE1GSK3B
SCHEMBL16093013 0.84 FOS (0.51) HDAC1HDAC2HDAC8BACE1GSK3B
SCHEMBL13446382 0.83 MMP2 (0.74) HDAC1HDAC2HDAC8BACE1GSK3B

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 18 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-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-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-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-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-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-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-20160106722-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

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

For each of this compound's patents that has machine-readable text (14 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 HDAC1 345/4885HDAC2 608/4885HDAC8 521/4885
US-20170216222-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT HDAC1 1292/4885HDAC2 445/4885HDAC8 855/4885
US-20180078535-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT HDAC1 1292/4885HDAC2 445/4885HDAC8 855/4885
US-20170042865-A1 THERAPEUTIC COMPOSITIONS CONTAINING CURCUMIN, HARMINE, AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, CPT1A HDAC1 1012/4885HDAC2 462/4885HDAC8 745/4885
US-20170105976-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT HDAC1 1292/4885HDAC2 445/4885HDAC8 855/4885
US-20170042867-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT HDAC1 1292/4885HDAC2 445/4885HDAC8 855/4885
US-20170042866-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT HDAC1 1292/4885HDAC2 445/4885HDAC8 855/4885
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 HDAC1 345/4885HDAC2 608/4885HDAC8 521/4885
US-20160106722-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN HDAC1 1249/4885HDAC2 736/4885HDAC8 797/4885
US-20170105975-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT HDAC1 1292/4885HDAC2 445/4885HDAC8 855/4885
US-20160106721-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN HDAC1 1249/4885HDAC2 736/4885HDAC8 797/4885
US-20160106724-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN HDAC1 1249/4885HDAC2 736/4885HDAC8 797/4885
US-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE L1CAM, LY96, GMFG HDAC1 1136/4885HDAC2 1389/4885HDAC8 975/4885
US-20160106687-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN HDAC1 1249/4885HDAC2 736/4885HDAC8 797/4885

“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.