SCHEMBL4886493

SCHEMBL4886493

COc1ccc(CNC(CC(=O)O)c2ccccc2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
POLB P06746 2/20 0.53
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
LDHA P00338 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
ADRB2 P07550 1/20 0.48
ATM Q13315 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
MAPK1 P28482 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
SCHEMBL4890501 1.00 KMT2A (0.60) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL4886486 1.00 KMT2A (0.60) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL4852829 0.91 KMT2A (0.59) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL4889095 0.87 POLB (0.62) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL4889020 0.87 POLB (0.62) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL4889036 0.87 POLB (0.62) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL4885737 0.83 TDP1 (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2TDP1
SCHEMBL4887164 0.83 TDP1 (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2TDP1
SCHEMBL4885725 0.83 TDP1 (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2TDP1
SCHEMBL4883659 0.81 KMT2A (0.62) KMT2AMEN1POLBALDH1A1SMN1; SMN2

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 3529/4885POLB 2773/4885

“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.