SCHEMBL4849249

SCHEMBL4849249

CCOC(=O)CC(NCc1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
THRB P10828 2/20 0.50
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 2/20 0.49
GAA P10253 1/20 0.48
CNR2 P34972 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
PPID Q08752 1/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
GPR88 Q9GZN0 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL4852606 0.90 PLA2G1B (0.55) PLA2G1BATG4BALDH1A1NPC1CNR2
SCHEMBL4851330 0.90 PPID (0.52) ALDH1A1SMN1; SMN2PPIDMAPTMEN1
SCHEMBL4847843 0.89 PPID (0.49) THRBALDH1A1CNR2SMN1; SMN2PPID
SCHEMBL4847137 0.88 PPID (0.48) ALDH1A1SMN1; SMN2PPIDMAPTMEN1
SCHEMBL4846785 0.86 PPID (0.47) ALDH1A1CNR2SMN1; SMN2PPIDPOLB
SCHEMBL1824442 0.86 PPID (0.43) PLA2G1BATG4BTHRBALDH1A1NPC1
SCHEMBL4889829 0.86 PLA2G1B (0.56) PLA2G1BATG4BTHRBALDH1A1NPC1
SCHEMBL4888869 0.86 PLA2G1B (0.56) PLA2G1BATG4BTHRBALDH1A1NPC1
SCHEMBL4888878 0.86 PLA2G1B (0.56) PLA2G1BATG4BTHRBALDH1A1NPC1
SCHEMBL4848590 0.85 SMN1; SMN2 (0.50) ALDH1A1NPC1SMN1; SMN2TDP1PPID

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 1466/4885THRB 1588/4885

“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.