SCHEMBL1781936

SCHEMBL1781936

CCCCCC(C)(C)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.43
FDPS P14324 10/20 0.41
GGPS1 O95749 7/20 0.41
CES1 P23141 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39

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
SCHEMBL28625217 0.98 CES2 (0.47) CES2FDPSGGPS1CES1CYP4F2
SCHEMBL5180253 0.98 CES2 (0.47) CES2FDPSGGPS1CES1CYP4F2
SCHEMBL28635947 0.98 CES2 (0.47) CES2FDPSGGPS1CES1CYP4F2
SCHEMBL19422035 0.98 CES2 (0.47) CES2FDPSGGPS1CES1CYP4F2
SCHEMBL28623069 0.98 CES2 (0.47) CES2FDPSGGPS1CES1CYP4F2
SCHEMBL11175561 0.98 CES2 (0.47) CES2FDPSGGPS1CES1CYP4F2
SCHEMBL28630152 0.98 CES2 (0.47) CES2FDPSGGPS1CES1CYP4F2
SCHEMBL28620955 0.98 CES2 (0.47) CES2FDPSGGPS1CES1CYP4F2
SCHEMBL1781508 0.98 CES2 (0.47) CES2FDPSGGPS1CES1CYP4F2
SCHEMBL106203 0.98 CES2 (0.47) CES2FDPSGGPS1CES1CYP4F2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116509735-A Fragrance and flavor compositions containing acetophenone derivatives 西姆莱斯股份公司 2023-08-01 CN disclosed
CN-109790284-B Polyphenol compound and process for producing the same 三菱化学株式会社 2021-09-21 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
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
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20110319422-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS: ESTER, CARBONATE, CARBAMATE AND PHOSPHONATE DERIVATIVES ALKERMES, INC. (US) 2011-12-29 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
US-4814340-A 1,4-diaryl alkane derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1989-03-21 US disclosed
US-4661501-A Certain aryl-alkane-2-pyridyloxy-phenyl derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1987-04-28 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 (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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 CES2 1371/4885FDPS 3227/4885GGPS1 647/4885
US-20150320875-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives PHPT1, SI, CA6 CES2 188/4885FDPS 961/4885GGPS1 611/4885
US-20170196848-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives PHPT1, SI, CA6 CES2 188/4885FDPS 961/4885GGPS1 611/4885
US-20110319422-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS: ESTER, CARBONATE, CARBAMATE AND PHOSPHONATE DERIVATIVES PHPT1, SI, CA6 CES2 188/4885FDPS 961/4885GGPS1 611/4885

“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.