SCHEMBL4883645

SCHEMBL4883645

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
ALDH1A1 P00352 3/20 0.57
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.54
LDHA P00338 1/20 0.54
ATM Q13315 3/20 0.52
CD274 Q9NZQ7 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL4888389 1.00 KMT2A (0.62) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL4883659 1.00 KMT2A (0.62) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL4846803 0.89 MEN1 (0.62) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL4880355 0.86 MAPK1 (0.55) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL4884375 0.86 MAPK1 (0.55) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL4880344 0.86 MAPK1 (0.55) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL4890501 0.81 KMT2A (0.60) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL4886486 0.81 KMT2A (0.60) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL4886493 0.81 KMT2A (0.60) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL25402495 0.81 L3MBTL1 (0.51) KMT2AMEN1ALDH1A1POLBLDHA

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 KMT2A 4504/4885MEN1 3529/4885ALDH1A1 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.