SCHEMBL3589919

SCHEMBL3589919

C/C(=C\c1ccc(C(C)C)cc1)CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.47
KDM4E B2RXH2 3/20 0.43
TRPA1 O75762 1/20 0.43
MAPK1 P28482 1/20 0.43
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 4/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 5/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 5/20 0.38

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
SCHEMBL3589921 1.00 TYR (0.47) TYRKDM4ETRPA1MAPK1GRIN2D
SCHEMBL3605120 0.82 TYR (0.45) TYRKDM4EMAPK1GRIN2DGRIN3B
SCHEMBL3598983 0.82 TYR (0.45) TYRKDM4EMAPK1GRIN2DGRIN3B
SCHEMBL4631940 0.79 APP (0.40) TRPA1RAB9ANPC1MAPTALDH1A1
SCHEMBL4632157 0.79 TRPA1 (0.50) TRPA1PTGS1PTGS2ALDH1A1HTT
SCHEMBL4632154 0.79 TRPA1 (0.50) TRPA1PTGS1PTGS2ALDH1A1HTT
SCHEMBL4631936 0.79 APP (0.40) TRPA1RAB9ANPC1MAPTALDH1A1
SCHEMBL9637970 0.79 TYR (0.54) TYRKDM4EMAPK1GRIN2DGRIN3B
SCHEMBL1758165 0.77 CYP2A6 (0.41) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1758330 0.77 CYP2A6 (0.41) KDM4EGRIN2DGRIN3BGRIN1GRIN2A

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 TYR 695/4885KDM4E 1645/4885TRPA1 3644/4885
US-20050187238-A1 Benzofuran derivatives, their production and use WDR1, WDR82, CBR1 TYR 743/4885KDM4E 2442/4885TRPA1 461/4885
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 TYR 3361/4885KDM4E 737/4885TRPA1 126/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 TYR 3361/4885KDM4E 737/4885TRPA1 126/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 TYR 3361/4885KDM4E 737/4885TRPA1 126/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 TYR 1273/4885KDM4E 554/4885TRPA1 2960/4885
US-20020160996-A1 Benzofuran derivatives, their production and use PARK7, WDR1, WHR1 TYR 1579/4885KDM4E 2275/4885TRPA1 667/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 TYR 3361/4885KDM4E 737/4885TRPA1 126/4885

“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.