SCHEMBL10061359

SCHEMBL10061359

COc1ccc(/C=C/C(O)=C/C(=O)/C=C/c2ccc(CO)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.81
BACE1 P56817 9/20 0.81
F3 P13726 2/20 0.62
FOS P01100 2/20 0.57
JUN P05412 2/20 0.57
THRB P10828 1/20 0.56
ATM Q13315 1/20 0.56
TLR9 Q9NR96 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 1/20 0.50
STAT3 P40763 1/20 0.50

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
SCHEMBL10021722 0.90 F3 (0.77) GSK3BBACE1F3THRBATM
SCHEMBL610787 0.90 GSK3B (1.00) GSK3BBACE1F3FOSJUN
SCHEMBL610786 0.90 GSK3B (1.00) GSK3BBACE1F3FOSJUN
SCHEMBL18699288 0.85 GSK3B (0.91) GSK3BBACE1F3FOSJUN
SCHEMBL18513427 0.84 GSK3B (0.88) GSK3BBACE1F3FOSJUN
SCHEMBL12572843 0.82 GSK3B (0.81) GSK3BBACE1F3THRBATM
SCHEMBL13358511 0.82 GSK3B (0.69) GSK3BBACE1F3FOSJUN
SCHEMBL16576810 0.81 NPC1 (0.73) GSK3BBACE1F3THRBATM
SCHEMBL25191845 0.80 F3 (0.79) F3NPC1RAB9A
SCHEMBL12334511 0.80 F3 (0.79) F3NPC1RAB9A

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 17 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-20160106721-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-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-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 GSK3B 2812/4885BACE1 750/4885F3 4781/4885
US-20170216222-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT GSK3B 462/4885BACE1 500/4885F3 4252/4885
US-20180078535-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT GSK3B 462/4885BACE1 500/4885F3 4252/4885
US-20170042865-A1 THERAPEUTIC COMPOSITIONS CONTAINING CURCUMIN, HARMINE, AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, CPT1A GSK3B 708/4885BACE1 575/4885F3 3876/4885
US-20170105976-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT GSK3B 462/4885BACE1 500/4885F3 4252/4885
US-20170042867-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT GSK3B 462/4885BACE1 500/4885F3 4252/4885
US-20170042866-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT GSK3B 462/4885BACE1 500/4885F3 4252/4885
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 GSK3B 2812/4885BACE1 750/4885F3 4781/4885
US-20160106722-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN GSK3B 2563/4885BACE1 1295/4885F3 4264/4885
US-20170105975-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT GSK3B 462/4885BACE1 500/4885F3 4252/4885
US-20160106721-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN GSK3B 2563/4885BACE1 1295/4885F3 4264/4885
US-20160106724-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN GSK3B 2563/4885BACE1 1295/4885F3 4264/4885
US-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE L1CAM, LY96, GMFG GSK3B 3394/4885BACE1 435/4885F3 4825/4885
US-20160106687-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN GSK3B 2563/4885BACE1 1295/4885F3 4264/4885

“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.