SCHEMBL3597220

SCHEMBL3597220

Cc1cc(OCC=Cc2ccc(C(C)C)cc2)c(C)c(C)c1NC=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
TYR P14679 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
NFE2L2 Q16236 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
HTT P42858 1/20 0.32
CXCL12 P48061 1/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL3597217 1.00 PTGS1 (0.37) PTGS1PTGS2TYRSMN1; SMN2LMNA
SCHEMBL4039712 0.86 ALOX5 (0.35) PTGS1PTGS2LMNANFE2L2NPC1
SCHEMBL4039706 0.86 ALOX5 (0.35) PTGS1PTGS2LMNANFE2L2NPC1
SCHEMBL4041936 0.85 NPC1 (0.43) NPC1RAB9APOLB
SCHEMBL4041931 0.85 NPC1 (0.43) NPC1RAB9APOLB
SCHEMBL3593765 0.81 BCHE (0.38) PTGS1PTGS2TYRSMN1; SMN2LMNA
SCHEMBL3593762 0.81 BCHE (0.38) PTGS1PTGS2TYRSMN1; SMN2LMNA
SCHEMBL6096337 0.71 PTGS1 (0.41) PTGS1PTGS2TYRSMN1; SMN2LMNA
SCHEMBL13582686 0.69 TYR (0.58) TYRSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL13582688 0.69 TYR (0.58) TYRSMN1; SMN2LMNAALDH1A1KDM4E

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
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP 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-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
US-7101867-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-05 US 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 (8 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 PTGS1 808/4885PTGS2 1276/4885TYR 695/4885
US-20050187238-A1 Benzofuran derivatives, their production and use WDR1, WDR82, CBR1 PTGS1 882/4885PTGS2 1047/4885TYR 743/4885
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 PTGS1 658/4885PTGS2 1023/4885TYR 3361/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 PTGS1 658/4885PTGS2 1023/4885TYR 3361/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 PTGS1 658/4885PTGS2 1023/4885TYR 3361/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 PTGS1 931/4885PTGS2 1348/4885TYR 1273/4885
US-20020160996-A1 Benzofuran derivatives, their production and use PARK7, WDR1, WHR1 PTGS1 894/4885PTGS2 1222/4885TYR 1579/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 PTGS1 658/4885PTGS2 1023/4885TYR 3361/4885

“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.