SCHEMBL10021722

SCHEMBL10021722

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 2/20 0.77
GSK3B P49841 3/20 0.63
BACE1 P56817 2/20 0.62
STAT3 P40763 1/20 0.60
THRB P10828 1/20 0.60
ATM Q13315 1/20 0.60
HDAC3 O15379 3/20 0.57
HDAC1 Q13547 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC8 Q9BY41 3/20 0.57
HDAC6 Q9UBN7 2/20 0.57
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
CAPN1 P07384 1/20 0.55
CTSB P07858 1/20 0.55
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL10061359 0.90 GSK3B (0.81) F3GSK3BBACE1STAT3THRB
SCHEMBL12572843 0.89 GSK3B (0.81) F3GSK3BBACE1THRBATM
SCHEMBL14331811 0.88 F3 (1.00) F3GSK3BBACE1STAT3THRB
SCHEMBL2744098 0.88 F3 (1.00) F3GSK3BBACE1STAT3THRB
SCHEMBL2744101 0.88 F3 (1.00) F3GSK3BBACE1STAT3THRB
SCHEMBL16576810 0.88 NPC1 (0.73) F3GSK3BBACE1THRBATM
SCHEMBL25191845 0.86 F3 (0.79) F3RAB9ANPC1MAPTMEN1
SCHEMBL12334511 0.86 F3 (0.79) F3RAB9ANPC1MAPTMEN1
SCHEMBL11526356 0.86 RELA (0.59) F3GSK3BRAB9ANPC1MAPT
SCHEMBL11526358 0.86 RELA (0.59) F3GSK3BRAB9ANPC1MAPT

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 22 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-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-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-9359279-B2 Treatment of cancer, inflammatory disease, and autoimmune disease ALLIANZ PHARMASCIENCE LTD. (TW) 2016-06-07 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-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-20140371177-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASE, AND AUTOIMMUNE DISEASE ALLIANZ PHARMASCIENCE LTD. (TW) 2014-12-18 US disclosed
US-8883846-B2 Synthesis of bicyclic compounds and method for their use as therapeutic agents UVIC INDUSTRY PARTNERSHIPS INC. (CA) 2014-11-11 US disclosed
US-8822732-B2 1,5-diphenyl-penta-1,4-dien-3-one compounds ANDROSCIENCE CORPORATION (US) 2014-09-02 US disclosed
US-20130210904-A1 SYNTHESIS OF BICYCLIC COMPOUNDS AND METHOD FOR THEIR USE AS THERAPEUTIC AGENTS UVIC INDUSTRY PARTNERSHIPS INC. 2013-08-15 US disclosed
US-20120046247-A1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS ALLIANZ PHARMASCIENCE LTD. (TW) 2012-02-23 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-20120046247-A1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS PDCD5, IL5, MALT1 F3 865/4885GSK3B 3060/4885BACE1 1857/4885
US-20160039734-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 F3 4781/4885GSK3B 2812/4885BACE1 750/4885
US-20170216222-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT F3 4252/4885GSK3B 462/4885BACE1 500/4885
US-20140371177-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASE, AND AUTOIMMUNE DISEASE PHOSPHO1, SELENOI, CD2 F3 3870/4885GSK3B 3097/4885BACE1 4442/4885
US-20180078535-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT F3 4252/4885GSK3B 462/4885BACE1 500/4885
US-20170042865-A1 THERAPEUTIC COMPOSITIONS CONTAINING CURCUMIN, HARMINE, AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, CPT1A F3 3876/4885GSK3B 708/4885BACE1 575/4885
US-20170105976-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT F3 4252/4885GSK3B 462/4885BACE1 500/4885
US-20170042867-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT F3 4252/4885GSK3B 462/4885BACE1 500/4885
US-20170042866-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT F3 4252/4885GSK3B 462/4885BACE1 500/4885
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 F3 4781/4885GSK3B 2812/4885BACE1 750/4885
US-20160106722-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN F3 4264/4885GSK3B 2563/4885BACE1 1295/4885
US-20170105975-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT F3 4252/4885GSK3B 462/4885BACE1 500/4885
US-20130210904-A1 SYNTHESIS OF BICYCLIC COMPOUNDS AND METHOD FOR THEIR USE AS THERAPEUTIC AGENTS NEU3, NEU2, NEU4 F3 1303/4885GSK3B 1044/4885BACE1 1020/4885
US-20160106687-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN F3 4264/4885GSK3B 2563/4885BACE1 1295/4885

“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.