SCHEMBL6097351

SCHEMBL6097351

[Li]C#CC(C)(C)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.42
AOC3 Q16853 1/20 0.39
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PYCR1 P32322 1/20 0.38
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RIPK1 Q13546 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A2 P23975 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CARM1 Q86X55 1/20 0.35

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
SCHEMBL6097373 0.77 ALDH1A1 (0.38) ALDH1A1TSHRAOC3LMNAUSP2
SCHEMBL6097749 0.77 ALDH1A1 (0.38) ALDH1A1TSHRAOC3LMNAUSP2
SCHEMBL11705199 0.77 ALDH1A1 (0.50) ALDH1A1TSHRAOC3LMNAUSP2
SCHEMBL6096180 0.77 TSHR (0.48) ALDH1A1TSHRAOC3LMNAUSP2
SCHEMBL5962473 0.73 TSHR (0.54) ALDH1A1TSHRAOC3LMNAUSP2
SCHEMBL13286037 0.68 RIPK1 (0.49) ALDH1A1TSHRAOC3LMNARIPK1
SCHEMBL12562387 0.68 TSHR (0.50) ALDH1A1TSHRAOC3LMNARIPK1
SCHEMBL16889019 0.67 ALDH1A1 (0.46) ALDH1A1TSHRAOC3LMNARIPK1
SCHEMBL1725189 0.67 AOC3 (0.48) ALDH1A1TSHRAOC3CYP3A4SMN1; SMN2
SCHEMBL1726185 0.67 TSHR (0.46) ALDH1A1TSHRAOC3LMNARIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109352-B2 Process for producing optically active amino acid derivatives KANEKA CORPORATION (JP) 2006-09-19 US disclosed
US-20050143586-A1 Process for producing optically active amino acid derivatives KANEKA CORPORATION (JP) 2005-06-30 US disclosed
US-6720449-B2 N-PROTECTING AN OPTICALLY ACTIVE 3-HALOALANINE DERIVATIVE FOLLOWED BY CYCLIZATION FOR AZIRIDINE-2-CARBOXYLIC ACID DERIVATIVES KANEKA CORPORATION (JP) 2004-04-13 US disclosed
US-20030032814-A1 Process for preparing optically active amino acid derivatives KANEKA CORPORATION (JP) 2003-02-13 US disclosed
EP-1179530-A1 PROCESSES FOR PREPARING OPTICALLY ACTIVE AMINO ACID DERIVATIVES Kaneka Corporation (JP) 2002-02-13 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-20050143586-A1 Process for producing optically active amino acid derivatives NPEPPS, AAAS, DDC ALDH1A1 1582/4885TSHR 2778/4885AOC3 101/4885
US-20030032814-A1 Process for preparing optically active amino acid derivatives NPEPPS, AAAS, DDC ALDH1A1 1618/4885TSHR 2750/4885AOC3 106/4885

“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.