SCHEMBL3421389

SCHEMBL3421389

COCC(C)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
RCE1 Q9Y256 1/20 0.42
KMT2A Q03164 2/20 0.41
IDO1 P14902 1/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 2/20 0.39
AGXT P21549 1/20 0.39
AOC3 Q16853 1/20 0.39
ALDH1A1 P00352 1/20 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
SCHEMBL18427254 1.00 MAPT (0.43) MAPTTSHRRCE1KMT2AIDO1
SCHEMBL13535486 0.96 MAPT (0.41) MAPTTSHRRCE1KMT2AIDO1
SCHEMBL13535477 0.96 MAPT (0.41) MAPTTSHRRCE1KMT2AIDO1
SCHEMBL13535489 0.90 TSHR (0.39) MAPTTSHRRCE1KMT2AHTT
Succinic Acid SCHEMBL9995353 0.86 SLC1A3 (0.41) MAPTKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL27382395 0.85 TSHR (0.40) MAPTTSHRRCE1KMT2AIDO1
SCHEMBL5471268 0.84 TSHR (0.54) MAPTTSHRKMT2ASLC1A1HTT
Adipic Acid SCHEMBL9995086 0.83 MAPT (0.44) MAPTKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL13535474 0.83 KMT2A (0.44) MAPTTSHRRCE1KMT2ASLC1A3
SCHEMBL13535473 0.82 AGXT (0.45) IDO1CYP1A2CYP2D6AGXTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1808223-B1 SOLVENT COMPOSITION ADEKA CORP (JP) 2012-11-07 EP claimed
US-7648651-B2 Solvent composition ADEKA CORPORATION (JP) 2010-01-19 US claimed
US-7507355-B2 Solvent composition ADEKA CORPORATION (JP) 2009-03-24 US claimed
US-20070257233-A1 Solvent Composition ADEKA CORPORATION (JP) 2007-11-08 US claimed
EP-1808223-A1 SOLVENT COMPOSITION Adeka Corporation (JP) 2007-07-18 EP claimed
US-8574814-B2 Actinic ray-sensitive or radiation-sensitive resin composition, and actinic ray-sensitive or radiation-sensitive film and pattern forming method using the composition FUJIFILM CORPORATION (JP) 2013-11-05 US disclosed
US-8574814-B2 Actinic ray-sensitive or radiation-sensitive resin composition, and actinic ray-sensitive or radiation-sensitive film and pattern forming method using the composition FUJIFILM CORPORATION (JP) 2013-11-05 US disclosed
US-20130004888-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM AND PATTERN FORMING METHOD USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2013-01-03 US disclosed
US-20130004888-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM AND PATTERN FORMING METHOD USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2013-01-03 US disclosed
EP-1808223-B1 SOLVENT COMPOSITION ADEKA CORP (JP) 2012-11-07 EP disclosed
EP-1808223-B1 SOLVENT COMPOSITION ADEKA CORP (JP) 2012-11-07 EP disclosed
US-7648651-B2 Solvent composition ADEKA CORPORATION (JP) 2010-01-19 US disclosed
US-7507355-B2 Solvent composition ADEKA CORPORATION (JP) 2009-03-24 US disclosed
US-20070257233-A1 Solvent Composition ADEKA CORPORATION (JP) 2007-11-08 US disclosed
US-20070257233-A1 Solvent Composition ADEKA CORPORATION (JP) 2007-11-08 US disclosed
US-20070257233-A1 Solvent Composition ADEKA CORPORATION (JP) 2007-11-08 US disclosed
US-20070166277-A1 Polymeric reagents comprising a ketone or a related functional group NEKTAR THERAPEUTICS 2007-07-19 US disclosed
EP-1808223-A1 SOLVENT COMPOSITION Adeka Corporation (JP) 2007-07-18 EP disclosed
EP-1808223-A1 SOLVENT COMPOSITION Adeka Corporation (JP) 2007-07-18 EP disclosed
US-7208145-B2 Useful for providing conjugates with other substances NEKTAR THERAPEUTICS AL, CORPORATION (US) 2007-04-24 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 (1 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-20070166277-A1 Polymeric reagents comprising a ketone or a related functional group TKT, KHK, KLK5 MAPT 198/4885TSHR 3097/4885RCE1 3365/4885

“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.