SCHEMBL4891464

SCHEMBL4891464

COc1ccc(CC[C@@H](CC(=O)O)NCc2ccccc2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
GAA P10253 2/20 0.56
ATM Q13315 1/20 0.56
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 2/20 0.48
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
STAT3 P40763 1/20 0.48
POLB P06746 3/20 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
REN P00797 1/20 0.47
CTSD P07339 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
SCHEMBL4882809 1.00 ALDH1A1 (0.57) ALDH1A1GAAATMLMNAMAPT
SCHEMBL4882820 1.00 ALDH1A1 (0.57) ALDH1A1GAAATMLMNAMAPT
SCHEMBL4848083 0.92 ALDH1A1 (0.56) ALDH1A1GAAATMLMNAMAPT
SCHEMBL4891278 0.88 LDHA (0.55) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL4888632 0.88 LDHA (0.55) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL4888641 0.88 LDHA (0.55) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL4881521 0.85 TAAR1 (0.50) ALDH1A1GAAATMKMT2AMEN1
SCHEMBL4884489 0.85 TAAR1 (0.50) ALDH1A1GAAATMKMT2AMEN1
SCHEMBL4881537 0.85 TAAR1 (0.50) ALDH1A1GAAATMKMT2AMEN1
SCHEMBL4875713 0.84 MEN1 (0.55) ALDH1A1GAAATMKMT2AMEN1

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 ALDH1A1 1354/4885GAA 1786/4885ATM 3793/4885

“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.