SCHEMBL3595590

SCHEMBL3595590

CC(C)c1ccc(/C=C/CBr)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.48
TYR P14679 1/20 0.48
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
GRIK1 P39086 1/20 0.45
GRIK2 Q13002 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
IDO1 P14902 2/20 0.39
NFE2L2 Q16236 1/20 0.39
MEN1 O00255 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL3595592 1.00 KDM4E (0.48) KDM4EMAPK1TYRPTGS1PTGS2
SCHEMBL18821936 0.82 ALDH1A1 (0.41) ALDH1A1IDO1
SCHEMBL23918549 0.79 TYR (0.64) KDM4EMAPK1TYRPTGS1PTGS2
SCHEMBL30075786 0.79 TYR (0.64) KDM4EMAPK1TYRPTGS1PTGS2
SCHEMBL2098164 0.79 TYR (0.54) KDM4EMAPK1TYRPTGS1PTGS2
SCHEMBL6714532 0.79 GRIK1 (0.53) KDM4EMAPK1TYRPTGS1PTGS2
SCHEMBL2098166 0.79 TYR (0.54) KDM4EMAPK1TYRPTGS1PTGS2
SCHEMBL13679677 0.79 GRIK1 (0.33) KDM4EMAPK1PTGS1PTGS2GRIK1
SCHEMBL11584024 0.79 KDM4E (0.48) KDM4EMAPK1TYRPTGS1PTGS2
SCHEMBL6714536 0.79 GRIK1 (0.53) KDM4EMAPK1TYRPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
CN-1816536-B Cannabinoid receptor modulators TAKAEDA CHEMICAL IND LTD 2012-12-26 CN disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US disclosed
US-7507841-B2 Carbamoylamino-substituted 2,3-dihydro-benzofurans, indoles and benzothiophenes, e.g., (+)-N-((3R)-3-(4-isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide; cerebrovascular disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
EP-1323716-B1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS TAKEDA PHARMACEUTICAL (JP) 2009-01-14 EP disclosed
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2009-01-08 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
US-7456162-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US disclosed
US-7101867-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-05 US disclosed
CN-1816536-A Cannabinoid receptor modulators TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-08-09 CN disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 EP disclosed
US-20050187238-A1 Benzofuran derivatives, their production and use OHKAWA SHIGENORI (JP) 2005-08-25 US disclosed
EP-1136477-B1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-03-10 EP disclosed
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US disclosed
EP-1323716-A1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS Takeda Chemical Industries, Ltd. (JP) 2003-07-02 EP disclosed
US-6479536-B1 Benzofuran derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-12 US disclosed
US-20020160996-A1 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-10-31 US disclosed
EP-1136477-A1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-26 EP 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 (7 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-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO KDM4E 1645/4885MAPK1 732/4885TYR 695/4885
US-20050187238-A1 Benzofuran derivatives, their production and use WDR1, WDR82, CBR1 KDM4E 2442/4885MAPK1 1997/4885TYR 743/4885
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 KDM4E 737/4885MAPK1 1115/4885TYR 3361/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KDM4E 737/4885MAPK1 1115/4885TYR 3361/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KDM4E 737/4885MAPK1 1115/4885TYR 3361/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 KDM4E 554/4885MAPK1 874/4885TYR 1273/4885
US-20020160996-A1 Benzofuran derivatives, their production and use PARK7, WDR1, WHR1 KDM4E 2275/4885MAPK1 1390/4885TYR 1579/4885

“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.