SCHEMBL968217

SCHEMBL968217

CCOC=COCCOCC

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.37
THRB P10828 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
SCHEMBL968216 1.00 ALDH1A1 (0.39) ALDH1A1TSHRTHRB
SCHEMBL4464674 0.86 ALDH1A1 (0.38) ALDH1A1TSHRTHRB
SCHEMBL7253175 0.82 TSHR (0.36) ALDH1A1TSHRTHRB
SCHEMBL10027324 0.82 TSHR (0.36) ALDH1A1TSHRTHRB
SCHEMBL1269952 0.81
SCHEMBL2470434 0.79 ALDH1A1 (0.36) ALDH1A1TSHRTHRB
SCHEMBL4464672 0.79
SCHEMBL8052611 0.78
SCHEMBL1407387 0.78
SCHEMBL1407388 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791155-B2 Chroman derivatives EDISON PHARMACEUTICALS, INC. (US) 2014-07-29 US disclosed
US-8354092-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-01-15 US disclosed
EP-2468734-A1 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry Siemens Medical Solutions USA, Inc. (US) 2012-06-27 EP disclosed
US-20120088783-A1 CHROMAN DERIVATIVES AMPERE LIFE SCIENCES, INC. (US) 2012-04-12 US disclosed
US-8044097-B2 Chroman derivatives AMPERE LIFE SCIENCES, INC. (US) 2011-10-25 US disclosed
US-7875607-B2 Neurodegenerative disorders; antiinflammatory agents; antiischemic agents; neuropathic pain; antiepileptic agents; Parkinson's disease; Alzheimer's disease; antidiabetic agents; 3-(6-Hydroxy-2-methyl-3,4,7,8,9,10-hexahydro-7,10-methano-2H -benzo[h]chromen-2-yl)-propionic acid methyl ester AMPERE LIFE SCIENCES, INC. (US) 2011-01-25 US disclosed
US-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-12-16 US disclosed
US-7829063-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-11-09 US disclosed
EP-2129666-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY Siemens Medical Solutions USA, Inc. (US) 2009-12-09 EP disclosed
US-7629375-B2 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2009-12-08 US disclosed
EP-1392639-A1 PYRUVATE DERIVATIVES Galileo Laboratories, Inc. (US) 2004-03-03 EP disclosed
US-6667330-B2 Cytoprotective; neuroinflammation and neurodegenerative disorders; oxidative stress related conditions GALILEO PHARMACEUTICALS, INC. 2003-12-23 US disclosed
US-20030176361-A1 Furanone derivatives MONSANTO TECHNOLOGY LLC 2003-09-18 US disclosed
WO-2003064403-A1 FURANONE DERIVATIVES GALILEO LABORATORIES, INC. (US) 2003-08-07 WO disclosed
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 US disclosed
WO-2003009807-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO LABORATORIES, INC. (US) 2003-02-06 WO disclosed
US-20030013846-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US disclosed
US-20030013656-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US disclosed
US-20030013847-A1 Cytoprotective agents MONSANTO TECHNOLOGY LLC 2003-01-16 US disclosed
WO-2002090314-A1 PYRUVATE DERIVATIVES GALILEO LABORATORIES, INC. (US) 2002-11-14 WO 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-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry CA9, CA4, CA13 ALDH1A1 387/4885TSHR 3805/4885THRB 3987/4885
US-20120088783-A1 CHROMAN DERIVATIVES CYP11B1, CYP11B2, TFAM ALDH1A1 986/4885TSHR 2126/4885THRB 3474/4885
US-20030013847-A1 Cytoprotective agents PC, PDK1, PDK2 ALDH1A1 247/4885TSHR 3745/4885THRB 981/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 ALDH1A1 488/4885TSHR 4195/4885THRB 4426/4885
US-20030176361-A1 Furanone derivatives HSPA9, HSF1, IL1B ALDH1A1 903/4885TSHR 4689/4885THRB 4770/4885
US-20030013846-A1 Pyruvate derivatives PC, PDK1, PDK4 ALDH1A1 241/4885TSHR 2729/4885THRB 586/4885
US-20030013656-A1 Pyruvate derivatives PC, PDK1, PDK4 ALDH1A1 241/4885TSHR 2729/4885THRB 586/4885

“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.