SCHEMBL7034652

SCHEMBL7034652

CCC(CC)CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.45
PPARA Q07869 3/20 0.43
IL6ST P40189 1/20 0.40
FAAH O00519 1/20 0.40
IDH1 O75874 8/20 0.39
ALDH1A1 P00352 1/20 0.39
PPARG P37231 1/20 0.38
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 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
SCHEMBL7034658 1.00 NAAA (0.45) NAAAPPARAIL6STFAAHIDH1
SCHEMBL13976822 0.91 PPARA (0.45) NAAAPPARAIL6STFAAHIDH1
SCHEMBL2882888 0.90 NAAA (0.40) NAAAPPARAIL6STFAAHIDH1
SCHEMBL3737218 0.89 PPARA (0.44) NAAAPPARAIL6STFAAHIDH1
SCHEMBL7066044 0.89 PPARA (0.44) NAAAPPARAIL6STFAAHIDH1
SCHEMBL4205621 0.89 PPARA (0.44) NAAAPPARAIL6STFAAHIDH1
SCHEMBL4205626 0.89 PPARA (0.44) NAAAPPARAIL6STFAAHIDH1
SCHEMBL5924646 0.88 NAAA (0.48) NAAAPPARAIL6STFAAHIDH1
SCHEMBL5924643 0.88 NAAA (0.48) NAAAPPARAIL6STFAAHIDH1
SCHEMBL1049822 0.88 NAAA (0.46) NAAAPPARAIL6STFAAHIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800764-B2 PREPARING CHIRALLY PURE S-ENANTIOMERS OF ALPHA -AMINO ACIDS COMPRISING THE STEPS OF: A) PREPARING AN ORGANOMETALLIC REAGENT FROM AN ALKYL HALIDE OF THE FORMULA (R) 2CH(CH2)NCH2X; B) ADDING THE ORGANOMETALLIC REAGENT TO CARBON DIOXIDE TO FORM WYETH 2004-10-05 US claimed
US-20030144531-A1 Process for the synthesis of chirally pure beta-amino-alcohols WYETH (US) 2003-07-31 US claimed
US-20230089867-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER NOVARTIS AG (CH) 2023-03-23 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 (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-20030144531-A1 Process for the synthesis of chirally pure beta-amino-alcohols ADH1C, ADH1A, ALDH7A1 NAAA 2236/4885PPARA 1384/4885IL6ST 1591/4885
US-20230089867-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER PCSK9, PCSK7, PCSK6 NAAA 891/4885PPARA 2673/4885IL6ST 1336/4885

“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.