SCHEMBL4735642

SCHEMBL4735642

CC/C=C/C(=O)NC(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
OXER1 Q8TDS5 1/20 0.34
EPHX1 P07099 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL4735646 1.00 HCAR2 (0.35) HCAR2KEAP1NFE2L2OXER1EPHX1
SCHEMBL30117374 0.83 TAS1R3 (0.39) HCAR2KEAP1NFE2L2OXER1TAS1R3
SCHEMBL22811569 0.81 OXER1 (0.35) HCAR2KEAP1NFE2L2OXER1EPHX1
SCHEMBL5411842 0.78 ALDH1A1 (0.37) HCAR2OXER1TAS1R3TAS1R1CNR1
SCHEMBL5411837 0.78 ALDH1A1 (0.37) HCAR2OXER1TAS1R3TAS1R1CNR1
SCHEMBL14488940 0.76 HCAR2 (0.38) HCAR2KEAP1NFE2L2EPHX1ALDH1A1
SCHEMBL13001788 0.74 HCAR2 (0.36) HCAR2KEAP1NFE2L2EPHX1ALDH1A1
SCHEMBL690239 0.73
SCHEMBL20877837 0.73
SCHEMBL239571 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008059051-A1 SYNTHESIS OF IMIDE COMPOUNDS PPG INDUSTRIES, INC. (US) 2008-05-22 WO disclosed
WO-2008059051-A1 SYNTHESIS OF IMIDE COMPOUNDS PPG INDUSTRIES, INC. (US) 2008-05-22 WO disclosed
US-7351849-B2 Process for producing optically active β-amino acid derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-04-01 US disclosed
US-20060205968-A1 Process for producing optically active beta-amino acid derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-09-14 US disclosed
EP-1656342-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE BETA-AMINO ACID DERIVATIVES Takasago International Corporation (JP) 2006-05-17 EP disclosed
WO-2005016866-A2 PROCESS FOR PRODUCING OPTICALLY ACTIIVE BETA-AMINO ACID DERIVATIVES TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-02-24 WO 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-20060205968-A1 Process for producing optically active beta-amino acid derivatives BCAT1, ALAD, AADAT HCAR2 375/4885KEAP1 2295/4885NFE2L2 2107/4885

“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.