SCHEMBL4884375

SCHEMBL4884375

COc1ccc(CN[C@@H](CC(=O)O)C(C)C)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
LDHA P00338 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.45
APEX1 P27695 1/20 0.45

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
SCHEMBL4880344 1.00 MAPK1 (0.55) MAPK1ALDH1A1KMT2AMEN1LDHA
SCHEMBL4880355 1.00 MAPK1 (0.55) MAPK1ALDH1A1KMT2AMEN1LDHA
SCHEMBL4855824 0.89 ALDH1A1 (0.55) MAPK1ALDH1A1KMT2AMEN1LDHA
SCHEMBL4883659 0.86 KMT2A (0.62) MAPK1ALDH1A1KMT2AMEN1LDHA
SCHEMBL4883645 0.86 KMT2A (0.62) MAPK1ALDH1A1KMT2AMEN1LDHA
SCHEMBL4888389 0.86 KMT2A (0.62) MAPK1ALDH1A1KMT2AMEN1LDHA
SCHEMBL4886716 0.82 PLA2G1B (0.52) ALDH1A1KMT2AMEN1LDHAATM
SCHEMBL4878836 0.82 PLA2G1B (0.52) ALDH1A1KMT2AMEN1LDHAATM
SCHEMBL4878846 0.82 PLA2G1B (0.52) ALDH1A1KMT2AMEN1LDHAATM
SCHEMBL4885536 0.80 MEN1 (0.54) ALDH1A1KMT2AMEN1POLBKDM4E

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 MAPK1 3796/4885ALDH1A1 1354/4885KMT2A 4504/4885

“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.