SCHEMBL4888641

SCHEMBL4888641

COc1ccc(CC(CC(=O)O)NCc2ccccc2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.55
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CTSD P07339 1/20 0.47
PPARA Q07869 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
PPARG P37231 1/20 0.47
FPR2 P25090 1/20 0.47
MME P08473 1/20 0.47
MMEL1 Q495T6 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL4891278 1.00 LDHA (0.55) LDHAALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4888632 1.00 LDHA (0.55) LDHAALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4849574 0.91 LDHA (0.53) LDHAALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4882809 0.88 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL4882820 0.88 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL4891464 0.88 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL5022424 0.86 SMN1; SMN2 (0.52) LDHAALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4887054 0.83 NPC1 (0.53) LDHAALDH1A1KMT2AMEN1PPARA
SCHEMBL4884357 0.83 NPC1 (0.53) LDHAALDH1A1KMT2AMEN1PPARA
SCHEMBL4884374 0.83 NPC1 (0.53) LDHAALDH1A1KMT2AMEN1PPARA

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 LDHA 2755/4885ALDH1A1 1354/4885SMN1; SMN2 4168/4885

“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.