SCHEMBL10086096

SCHEMBL10086096

CCC(O)c1cc(OC)ccc1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.75
ADRA2A P08913 2/20 0.75
ADRB2 P07550 1/20 0.65
ADRB1 P08588 1/20 0.65
ADRB3 P13945 1/20 0.65
CYP2D6 P10635 2/20 0.58
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MAPK1 P28482 1/20 0.57
BLM P54132 1/20 0.57
SCN1A P35498 1/20 0.51
SCN2A Q99250 1/20 0.51
SCN3A Q9NY46 1/20 0.51
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48

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
SCHEMBL29825075 1.00 ADRA1A (0.75) ADRA1AADRA2AADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL10365566 0.98 ADRA1A (0.73) ADRA1AADRA2AADRB2ADRB1ADRB3
SCHEMBL29172261 0.86 ADRA1A (0.71) ADRA1AADRA2AADRB2ADRB1ADRB3
SCHEMBL15756621 0.86 ADRA1A (0.71) ADRA1AADRA2AADRB2ADRB1ADRB3
Desglymidodrine SCHEMBL29822558 0.86 ADRA1A (1.00) ADRA1AADRA2AADRB2ADRB1ADRB3
Desglymidodrine SCHEMBL6031919 0.86 ADRA1A (1.00) ADRA1AADRA2AADRB2ADRB1ADRB3
Desglymidodrine SCHEMBL29583490 0.86 ADRA1A (1.00) ADRA1AADRA2AADRB2ADRB1ADRB3
Desglymidodrine SCHEMBL6032882 0.86 ADRA1A (1.00) ADRA1AADRA2AADRB2ADRB1ADRB3
SCHEMBL9173075 0.86 ADRA2A (0.56) ADRA1AADRA2AADRB2ADRB1ADRB3
Desglymidodrine SCHEMBL476432 0.86 ADRA1A (1.00) ADRA1AADRA2AADRB2ADRB1ADRB3

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-9944581-B2 Processes for converting biomass-derived feedstocks to chemicals and liquid fuels VIRENT, INC. (US) 2018-04-17 US disclosed
US-9765261-B2 Solvolysis of biomass to produce aqueous and organic products VIRENT, INC. (US) 2017-09-19 US disclosed
US-20170247307-A1 PROCESSES FOR CONVERTING BIOMASS-DERIVED FEEDSTOCKS TO CHEMICALS AND LIQUID FUELS VIRENT INC (US) 2017-08-31 US disclosed
US-9656937-B2 Processes for converting biomass-derived feedstocks to chemicals and liquid fuels VIRENT, INC. (US) 2017-05-23 US disclosed
US-20170137719-A1 SOLVOLYSIS OF BIOMASS TO PRODUCE AQUEOUS AND ORGANIC PRODUCTS VIRENT, INC. (US) 2017-05-18 US disclosed
US-9587178-B2 Solvolysis of biomass to produce aqueous and organic products VIRENT, INC. (US) 2017-03-07 US disclosed
US-20160304427-A1 PROCESSES FOR CONVERTING BIOMASS-DERIVED FEEDSTOCKS TO CHEMICALS AND LIQUID FUELS VIRENT, INC. 2016-10-20 US disclosed
US-9388528-B2 Solvolysis of biomass to produce aqueous and organic products VIRENT, INC. (US) 2016-07-12 US disclosed
US-9382185-B2 Processes for converting biomass-derived feedstocks to chemicals and liquid fuels VIRENT, INC. (US) 2016-07-05 US disclosed
US-20160024711-A1 SOLVOLYSIS OF BIOMASS TO PRODUCE AQUEOUS AND ORGANIC PRODUCTS VIRENT, INC. 2016-01-28 US disclosed
US-9157030-B2 Solvolysis of biomass and stabilization of biomass hydrolysate VIRENT, INC. (US) 2015-10-13 US disclosed
US-9157031-B2 Solvolysis of biomass to produce aqueous and organic products VIRENT, INC. (US) 2015-10-13 US disclosed
US-20140350097-A1 TREATMENT OF HYPOTENSION ASSOCIATED WITH HEMODIALYSIS Medinox,Inc. (US) 2014-11-27 US disclosed
US-20140273118-A1 Processes for Converting Biomass-Derived Feedstocks to Chemicals and Liquid Fuels VIRENT, INC. (US) 2014-09-18 US disclosed
US-20130019859-A1 SOLVOLYSIS OF BIOMASS AND STABILIZATION OF BIOMASS HYDROLYSATE VIRENT, INC. (US) 2013-01-24 US disclosed
US-20130023702-A1 Serial Deconstruction of Biomass VIRENT, INC. (US) 2013-01-24 US disclosed
US-20120323053-A1 Methods for biomass Deconstruction and Purification VIRENT, INC. (US) 2012-12-20 US disclosed
US-20120318258-A1 SOLVOLYSIS OF BIOMASS TO PRODUCE AQUEOUS AND ORGANIC PRODUCTS VIRENT, INC. (US) 2012-12-20 US disclosed
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 US disclosed
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 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 (6 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-20140350097-A1 TREATMENT OF HYPOTENSION ASSOCIATED WITH HEMODIALYSIS NOS2, QDPR, NOS1 ADRA1A 252/4885ADRA2A 321/4885ADRB2 158/4885
US-20170247307-A1 PROCESSES FOR CONVERTING BIOMASS-DERIVED FEEDSTOCKS TO CHEMICALS AND LIQUID FUELS HPD, GRHPR, CBR3 ADRA1A 4367/4885ADRA2A 4147/4885ADRB2 3106/4885
US-20140273118-A1 Processes for Converting Biomass-Derived Feedstocks to Chemicals and Liquid Fuels HPD, GRHPR, CBR3 ADRA1A 4367/4885ADRA2A 4147/4885ADRB2 3106/4885
US-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 ADRA1A 745/4885ADRA2A 1110/4885ADRB2 673/4885
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E ADRA1A 2783/4885ADRA2A 3168/4885ADRB2 3693/4885
US-20160304427-A1 PROCESSES FOR CONVERTING BIOMASS-DERIVED FEEDSTOCKS TO CHEMICALS AND LIQUID FUELS HPD, GRHPR, CBR3 ADRA1A 4367/4885ADRA2A 4147/4885ADRB2 3106/4885

“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.