SCHEMBL3448289

SCHEMBL3448289

CCCC(C)C(=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.42
AKR1A1 P14550 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 5/20 0.40
CYP3A4 P08684 2/20 0.40
NFKB1 P19838 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
FDPS P14324 1/20 0.40
CA1 P00915 2/20 0.39
HDAC7 Q8WUI4 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL343756 0.88 TSHR (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL12044394 0.84 CA1 (0.52) FDPSCA1MAPK1ACE2
SCHEMBL12180653 0.82 CA1 (0.61) NFKB1FDPSCA1ACE2MAPT
SCHEMBL903370 0.82 CA1 (0.61) NFKB1FDPSCA1ACE2MAPT
SCHEMBL14322134 0.81 CHRM1 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
Benzene SCHEMBL19859125 0.81 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1482996 0.81 TSHR (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8062662 0.80 CA1 (0.59) NFKB1FDPSCA1ACE2MAPT
SCHEMBL15544421 0.80 CA1 (0.59) FDPSCA1ACE2MAPT
SCHEMBL11476447 0.79 CHRM1 (0.39) 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260019-A Hyperbranched perfluoroketone and application thereof in heat conduction work 三明市海斯福化工有限责任公司 2022-11-01 CN claimed
CN-115260019-B Hyperbranched perfluoro-ketone and application thereof in heat conduction operation 三明市海斯福化工有限责任公司 2024-03-26 CN disclosed
CN-115260019-A Hyperbranched perfluoroketone and application thereof in heat conduction work 三明市海斯福化工有限责任公司 2022-11-01 CN disclosed
US-20170196848-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives ALKERMES PHARMA IRELAND LTD (IE) 2017-07-13 US disclosed
WO-2017106304-A1 PEPTIDE OLIGONUCLEOTIDE CONJUGATES SAREPTA THERAPEUTICS, INC. (US) 2017-06-22 WO disclosed
US-9585965-B2 Prodrugs of NH-acidic compounds: ester, carbonate, carbamate and phosphonate derivatives ALKERMES PHARMA IRELAND LIMITED (IE) 2017-03-07 US disclosed
US-9585965-B2 Prodrugs of NH-acidic compounds: ester, carbonate, carbamate and phosphonate derivatives ALKERMES PHARMA IRELAND LIMITED (IE) 2017-03-07 US disclosed
US-20150320875-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives ALKERMES PHARMA IRELAND LTD (IE) 2015-11-12 US disclosed
US-9072788-B2 Prodrugs of NH-acidic compounds: ester, carbonate, carbamate and phosphonate derivatives ALKERMES PHARMA IRELAND LIMITED (IE) 2015-07-07 US disclosed
EP-1316582-B1 POLYVINYL ALCOHOL RESIN COMPOSITION AND MULTILAYER PACKAGES KURARAY CO (JP) 2012-10-31 EP disclosed
US-6972314-B2 OH-containing polysiloxane; carbodiimide; organosilicon crosslinking agent; cured rubber with a higher elongation percentage and improved heat, oil and chemical resistance; automobile applications HENKEL CORPORATION (US) 2005-12-06 US disclosed
EP-1584660-A1 SILICONE RESIN COMPOSITION Henkel Loctite Corporation (US) 2005-10-12 EP disclosed
CN-1180019-C Polyvinyl alcohol resin composition and multiplayer packages �����ɷ� 2004-12-15 CN disclosed
US-20040127669-A1 Silicone resin composition HENKEL LOCTITE CORPORATION 2004-07-01 US disclosed
EP-1316582-A1 POLYVINYL ALCOHOL RESIN COMPOSITION AND MULTILAYER PACKAGES KURARAY CO., LTD. (JP) 2003-06-04 EP disclosed
EP-0928825-B1 Resin composition for use in sealant and liquid sealant using the resin composition NISSHIN SPINNING (JP) 2003-05-14 EP disclosed
US-20030022974-A1 Polyvinyl alcohol resin composition and multilayer packages KURARAY CO., LTD. (JP) 2003-01-30 US disclosed
CN-1392889-A Polyvinyl alcohol resin composition and multilayer container KURARAY CO (JP) 2003-01-22 CN disclosed
US-6172143-B1 Resin composition for use in sealant and liquid sealant using the resin composition NISSHINBO INDUSTRIES, INC. (JP) 2001-01-09 US disclosed
EP-0928825-A2 Resin composition for use in sealant and liquid sealant using the resin composition NISSHINBO INDUSTRIES, INC. (JP) 1999-07-14 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 (2 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-20150320875-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives PHPT1, SI, CA6 CHRM1 2813/4885AKR1A1 1601/4885CHRM3 3013/4885
US-20170196848-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives PHPT1, SI, CA6 CHRM1 2813/4885AKR1A1 1601/4885CHRM3 3013/4885

“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.