SCHEMBL4850864

SCHEMBL4850864

CCOC(=O)CC(NCc1ccccc1)c1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 1/20 0.45
MAPT P10636 3/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
GSK3B P49841 1/20 0.45
EDNRA P25101 5/20 0.45
NPC1 O15118 2/20 0.45
HTT P42858 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 4/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL4846856 0.90 RAB9A (0.55) KMT2AMEN1RAB9AHPGDGSK3B
SCHEMBL4847866 0.86 RAB9A (0.48) KMT2ARAB9AHPGDMAPTITGB3
SCHEMBL4854580 0.85 GSK3B (0.51) KMT2AMEN1RAB9AHPGDMAPT
SCHEMBL4855345 0.85 GSK3B (0.51) KMT2AMEN1RAB9AHPGDMAPT
SCHEMBL4851330 0.81 PPID (0.52) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL4847843 0.81 PPID (0.49) KMT2AMEN1MAPTALDH1A1TP53
SCHEMBL4847137 0.79 PPID (0.48) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL4851332 0.79 MEN1 (0.60) KMT2AMEN1RAB9AHPGDMAPT
SCHEMBL4848590 0.79 SMN1; SMN2 (0.50) KMT2AMEN1MAPTNPC1ALDH1A1
SCHEMBL4846785 0.78 PPID (0.47) KMT2AMEN1RAB9AMAPTCYP3A4

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 3529/4885RAB9A 1336/4885

“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.