SCHEMBL823267

SCHEMBL823267

O=C1C=C2CCCC(=O)C2CC1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 4/20 0.69
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
MMP2 P08253 1/20 0.31
CYP19A1 P11511 2/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL31083259 1.00 TLR4 (0.69) TLR4ALDH1A1MAPTCA1CA2
SCHEMBL11718459 0.87 TLR4 (0.68) TLR4CYP19A1
SCHEMBL14401277 0.80 TLR4 (0.50) TLR4ALDH1A1MAPTMMP2
SCHEMBL11181948 0.70 TLR4 (0.47) TLR4ALDH1A1MAPTMMP2CYP19A1
SCHEMBL9609547 0.68 TLR4 (0.50) TLR4ALDH1A1MAPTKMT2A
SCHEMBL5201714 0.68 TLR4 (0.55) TLR4MAPTCA1CA2CA4
SCHEMBL2577011 0.68 TLR4 (0.42) TLR4ALDH1A1MMP2CYP19A1
SCHEMBL11164098 0.67 TLR4 (0.53) TLR4ALDH1A1MAPT
SCHEMBL11165151 0.67 TLR4 (0.45) TLR4ALDH1A1MAPTKMT2A
SCHEMBL1964176 0.67 TLR4 (0.48) TLR4MAPTCA1CA2CA4

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-9909073-B2 Process of generating a renewable biofuel from a hydrotreated stream of condensed oxygenates INAERIS TECHNOLOGIES, LLC (US) 2018-03-06 US disclosed
US-9909073-B2 Process of generating a renewable biofuel from a hydrotreated stream of condensed oxygenates INAERIS TECHNOLOGIES, LLC (US) 2018-03-06 US disclosed
US-9290423-B2 Process of generating a renewable biofuel from a hydrotreated stream of condensed oxygenates KIOR, LLC (US) 2016-03-22 US disclosed
US-9290423-B2 Process of generating a renewable biofuel from a hydrotreated stream of condensed oxygenates KIOR, LLC (US) 2016-03-22 US disclosed
US-20160010001-A1 PROCESS OF GENERATING A RENEWABLE BIOFUEL FROM A HYDROTREATED STREAM OF CONDENSED OXYGENATES MARD, INC. 2016-01-14 US disclosed
US-20160010001-A1 PROCESS OF GENERATING A RENEWABLE BIOFUEL FROM A HYDROTREATED STREAM OF CONDENSED OXYGENATES MARD, INC. 2016-01-14 US disclosed
US-9200209-B2 Process of generating a renewable biofuel from a hydrotreated stream of condensed oxygenates KIOR, INC. (US) 2015-12-01 US disclosed
US-9200209-B2 Process of generating a renewable biofuel from a hydrotreated stream of condensed oxygenates KIOR, INC. (US) 2015-12-01 US disclosed
US-20140142355-A1 PROCESS OF GENERATING A RENEWABLE BIOFUEL FROM A HYDROTREATED STREAM OF CONDENSED OXYGENATES KIOR, INC. (US) 2014-05-22 US disclosed
US-20140142354-A1 Process of Generating a Renewable Biofuel From a Hydrotreated Stream of Condensed Oxygenates KIOR, INC. (US) 2014-05-22 US disclosed
US-20110160309-A1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS NEREUS PHARMACEUTICALS, INC. (US) 2011-06-30 US disclosed
EP-2319621-A2 Base stable ionic liquids The Queen's University of Belfast (GB) 2011-05-11 EP disclosed
EP-2286915-A2 IONIC LIQUIDS WITH A CATION COMPRISING A BASIC MOIETY The Queen's University of Belfast (GB) 2011-02-23 EP disclosed
EP-1591437-B1 Interleukin-1 and tumor necrosis factor-alpha modulators, syntheses of said modulators and methods of using said modulators NEREUS PHARMACEUTICALS INC (US) 2009-11-25 EP disclosed
US-20090270248-A1 Basic ionic liquids THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2009-10-29 US disclosed
US-20090270248-A1 Basic ionic liquids THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2009-10-29 US disclosed
US-20090216015-A1 Base Stable Ionic Liquids THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2009-08-27 US disclosed
US-20090216015-A1 Base Stable Ionic Liquids THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2009-08-27 US disclosed
US-7342125-B2 Method of treating inflammation with acanthoic acid derivatives NEREUS PHARMACEUTICALS, INC. (US) 2008-03-11 US disclosed
EP-1178952-B1 NOVEL INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS, SYNTHESES OF SAID MODULATORS AND METHODS OF USING SAID MODULATORS NEREUS PHARMACEUTICALS INC (US) 2007-08-22 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 (4 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-20160010001-A1 PROCESS OF GENERATING A RENEWABLE BIOFUEL FROM A HYDROTREATED STREAM OF CONDENSED OXYGENATES CBR3, C5, CBR1 TLR4 3445/4885ALDH1A1 1130/4885MAPT 2569/4885
US-20140142354-A1 Process of Generating a Renewable Biofuel From a Hydrotreated Stream of Condensed Oxygenates CBR3, C5, CBR1 TLR4 3445/4885ALDH1A1 1130/4885MAPT 2569/4885
US-20110160309-A1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS IL1A, IL1B, TNF TLR4 593/4885ALDH1A1 2662/4885MAPT 4689/4885
US-20090216015-A1 Base Stable Ionic Liquids BRAF, TIAL1, HPRT1 TLR4 4457/4885ALDH1A1 2477/4885MAPT 1496/4885

“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.