SCHEMBL4854476

SCHEMBL4854476

COC(=O)CC(NCc1ccc(OC)cc1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
ALDH1A1 P00352 6/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CASR P41180 1/20 0.46
HTT P42858 1/20 0.44
PKM P14618 1/20 0.44
LDHA P00338 1/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ANPEP P15144 1/20 0.43
F2RL1 P55085 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KLK7 P49862 1/20 0.43

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
SCHEMBL4886716 0.88 PLA2G1B (0.52) PLA2G1BATG4BALDH1A1NPC1RAB9A
SCHEMBL4878836 0.88 PLA2G1B (0.52) PLA2G1BATG4BALDH1A1NPC1RAB9A
SCHEMBL4878846 0.88 PLA2G1B (0.52) PLA2G1BATG4BALDH1A1NPC1RAB9A
SCHEMBL4855981 0.85 DPP7 (0.50) RAB9ASMN1; SMN2MEN1KMT2AKLK7
SCHEMBL20578306 0.85 L3MBTL1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2CASR
SCHEMBL6374910 0.85 PLA2G1B (0.48) PLA2G1BATG4BALDH1A1SMN1; SMN2CASR
SCHEMBL4854425 0.85 PLA2G1B (0.48) PLA2G1BATG4BALDH1A1SMN1; SMN2CASR
SCHEMBL20578308 0.85 L3MBTL1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2CASR
SCHEMBL4858619 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CASRHTTLMNA
SCHEMBL25609127 0.83 ALDH1A1 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1493819-B1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER UBE INDUSTRIES (JP) 2014-11-12 EP disclosed
US-7449325-B2 Process for enzymatically producing either optically active N-substituted β-amino acids or esters thereof or optically active N-substituted 2-homopipecolic acids or esters thereof UBE INDUSTRIES, LTD. (JP) 2008-11-11 US disclosed
US-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester UBE INDUSTRIES, LTD. (JP) 2005-08-04 US disclosed
EP-1493819-A1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER Ube Industries, Ltd. (JP) 2005-01-05 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 (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-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester CYP8B1, SRR, HM13 PLA2G1B 366/4885ATG4B 1466/4885ALDH1A1 1354/4885

“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.