SCHEMBL2230798

SCHEMBL2230798

CCCC(CCO)C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.80
AKR1A1 P14550 1/20 0.80
CHRM3 P20309 1/20 0.80
HTR2A P28223 1/20 0.80
HTR2C P28335 1/20 0.80
ADRA1A P35348 1/20 0.80
HRH1 P35367 1/20 0.80
DRD3 P35462 1/20 0.80
SLC6A3 Q01959 1/20 0.80
HDAC1 Q13547 1/20 0.80
HDAC2 Q92769 1/20 0.80
TDP1 Q9NUW8 1/20 0.80
SLC1A2 P43004 4/20 0.54
SLC1A1 P43005 4/20 0.54
GRIK1 P39086 3/20 0.54
GRIK2 Q13002 3/20 0.54
SLC1A3 P43003 3/20 0.54
CA2 P00918 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP3A4 P08684 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
SCHEMBL16061831 1.00 CHRM1 (0.80) CHRM1AKR1A1CHRM3HTR2AHTR2C
Valproic Acid SCHEMBL11163012 0.90 CHRM1 (0.80) CHRM1AKR1A1CHRM3HTR2AHTR2C
Valproic Acid SCHEMBL11158677 0.90 CHRM1 (0.80) CHRM1AKR1A1CHRM3HTR2AHTR2C
Valproic Acid SCHEMBL28119083 0.90 CHRM1 (0.89) CHRM1AKR1A1CHRM3HTR2AHTR2C
Valproic Acid SCHEMBL140241 0.89 CHRM1 (1.00) CHRM1AKR1A1CHRM3HTR2AHTR2C
Valproic Acid SCHEMBL1330837 0.89 CHRM1 (1.00) CHRM1AKR1A1CHRM3HTR2AHTR2C
Valproic Acid SCHEMBL2275 0.89 CHRM1 (1.00) CHRM1AKR1A1CHRM3HTR2AHTR2C
Valproic Acid SCHEMBL12496010 0.88 CHRM1 (0.76) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL49001 0.88 CHRM1 (0.76) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1738242 0.87 CHRM1 (0.94) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113594465-B Negative electrode binder and preparation method and application thereof 苏州清陶新能源科技有限公司 2023-02-28 CN disclosed
CN-113594465-A Negative electrode binder and preparation method and application thereof 苏州清陶新能源科技有限公司 2021-11-02 CN disclosed
US-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2016-02-11 US disclosed
EP-2968445-A2 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF Su, Zhuang (US) 2016-01-20 EP disclosed
WO-2014145686-A2 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF SU ZHUANG (US) 2014-09-18 WO disclosed
EP-2348833-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-08-03 EP disclosed
EP-2346322-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-07-27 EP disclosed
WO-2010040835-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 WO disclosed
WO-2010040834-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 WO disclosed
CN-1303130-C Process for producing polymerizable polybranched polyester DAINIPPON INK & CHEMICALS (JP) 2007-03-07 CN disclosed
US-20020164742-A1 DNA encoding methymycin and pikromycin REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-11-07 US disclosed
EP-0870053-A4 METABOLIC ENGINEERING OF POLYHYDROXYALKANOATE MONOMER SYNTHASES UNIV MINNESOTA (US) 2002-09-11 EP disclosed
US-20020110897-A1 Polyketide synthase encoded by a methymycin/pikromycin biosynthetic gene cluster REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-08-15 US disclosed
US-6265202-B1 NUCLEIC ACID WHICH ENCODES AT LEAST ONE DEOSAMINE BIOSYNTHETIC ENZYME OF DEFINED AMINO ACID SEQUENCE; RECOMBINANT HOST CELL WITH ALTERED BIOSYNTHESIS REGENTS OF THE UNIVERSITY OF MINNESOTA 2001-07-24 US disclosed
EP-1090125-A2 DNA ENCODING METHYMYCIN AND PIKROMYCIN REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2001-04-11 EP disclosed
WO-2000000620-A2 DNA ENCODING METHYMYCIN AND PIKROMYCIN REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2000-01-06 WO disclosed
EP-0870053-A1 METABOLIC ENGINEERING OF POLYHYDROXYALKANOATE MONOMER SYNTHASES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1998-10-14 EP disclosed
WO-1997022711-A9 METABOLIC ENGINEERING OF POLYHYDROXYALKANOATE MONOMER SYNTHASES 1997-09-25 WO disclosed
WO-1997022711-A1 METABOLIC ENGINEERING OF POLYHYDROXYALKANOATE MONOMER SYNTHASES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1997-06-26 WO disclosed
US-4341558-A ZIRCONIUM OR TITANIUM COMPOUND, SILICA, INOSITOL POLYPHOSPHATE, CORROSION RESISTANCE, PAINT RECEPITIVITY HOOKER CHEMICALS & PLASTICS CORP. (US) 1982-07-27 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-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 CHRM1 4705/4885AKR1A1 2607/4885CHRM3 4527/4885

“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.