SCHEMBL2763315

SCHEMBL2763315

COC(=O)C=C(C)CC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
TSHR P16473 2/20 0.31
GFPT1 Q06210 1/20 0.31
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL13751256 0.85 HCAR2 (0.48) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL1299991 0.79 HCAR2 (0.42) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL4875428 0.79 MGAM (0.50) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL13730417 0.79
SCHEMBL13296266 0.79 MGAM (0.50) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL3390814 0.79
Hydrochloric Acid SCHEMBL1260928 0.77 HCAR2 (0.40) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL1260927 0.77 HCAR2 (0.40) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL9654807 0.76
SCHEMBL9912439 0.76

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
US-8957233-B2 Method for producing optically active 1,2-bis(dialkylphosphino)benzene derivative NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2015-02-17 US disclosed
US-20130172597-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 1,2-BIS(DIALKYLPHOSPHINO)BENZENE DERIVATIVE NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2013-07-04 US disclosed
US-7858348-B2 N-acetyl-(R,S)-beta-amino acid acylase gene AJINOMOTO CO., INC. (JP) 2010-12-28 US disclosed
EP-1882740-B1 N-acetyl-(R,S)-B-amino acid acylase gene AJINOMOTO KK (JP) 2010-04-14 EP disclosed
US-20080241895-A1 N-Acetyl-(R,S)-beta-Amino Acid Acylase Gene AJINOMOTO CO., INC. (JP) 2008-10-02 US disclosed
EP-1882740-A1 N-acetyl-(R,S)-B-amino acid acylase gene Ajinomoto Co., Ltd. (JP) 2008-01-30 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-20130172597-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 1,2-BIS(DIALKYLPHOSPHINO)BENZENE DERIVATIVE RDX, BRIX1, P2RX1 HCAR2 1364/4885KEAP1 1917/4885NFE2L2 3567/4885
US-20080241895-A1 N-Acetyl-(R,S)-beta-Amino Acid Acylase Gene ACSL4, FASN, BLVRB HCAR2 4339/4885KEAP1 3317/4885NFE2L2 3800/4885

“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.