SCHEMBL4858501

SCHEMBL4858501

COC(=O)CC(Cc1ccc(OC)cc1)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ATM Q13315 1/20 0.50
LDHA P00338 1/20 0.50
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
HDAC8 Q9BY41 1/20 0.49
HTT P42858 1/20 0.49
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
MAOB P27338 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 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
SCHEMBL4856050 0.92 SIGMAR1 (0.49) NPC1KMT2AMEN1ATMRAB9A
SCHEMBL4884374 0.91 NPC1 (0.53) NPC1KMT2AMEN1ATMLDHA
SCHEMBL4884357 0.91 NPC1 (0.53) NPC1KMT2AMEN1ATMLDHA
SCHEMBL4887054 0.91 NPC1 (0.53) NPC1KMT2AMEN1ATMLDHA
SCHEMBL4857979 0.88 OPRD1 (0.46) ATMMAOB
SCHEMBL25609127 0.87 ALDH1A1 (0.47) NPC1KMT2AMEN1LDHAHTT
SCHEMBL4856038 0.87 MEN1 (0.54) NPC1KMT2AMEN1ATMHTT
SCHEMBL4854203 0.87 CA12 (0.51) NPC1KMT2APPARGPPARAPLA2G1B
SCHEMBL4857650 0.87 DPP7 (0.52) PPARGPPARAALDH1A1
SCHEMBL4852973 0.87 SIGMAR1 (0.42) KMT2AMEN1ATMMAOB

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 NPC1 1932/4885KMT2A 4504/4885MEN1 3529/4885

“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.