SCHEMBL4855824

SCHEMBL4855824

COC(=O)CC(NCc1ccc(OC)c(OC)c1)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
MAPK1 P28482 1/20 0.52
LDHA P00338 1/20 0.48
ATM Q13315 1/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
EPHX2 P34913 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 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
SCHEMBL4880355 0.89 MAPK1 (0.55) ALDH1A1KMT2AMEN1MAPK1LDHA
SCHEMBL4880344 0.89 MAPK1 (0.55) ALDH1A1KMT2AMEN1MAPK1LDHA
SCHEMBL4884375 0.89 MAPK1 (0.55) ALDH1A1KMT2AMEN1MAPK1LDHA
SCHEMBL4846803 0.86 MEN1 (0.62) ALDH1A1KMT2AMEN1MAPK1LDHA
SCHEMBL4854476 0.82 PLA2G1B (0.49) ALDH1A1KMT2AMEN1LDHASMN1; SMN2
SCHEMBL4857528 0.80 MEN1 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4858619 0.80 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1POLBKDM4E
SCHEMBL4855981 0.79 DPP7 (0.50) KMT2AMEN1TDP1SMN1; SMN2CYP2C9
SCHEMBL11673049 0.79 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1MAPK1LDHA
SCHEMBL4854425 0.79 PLA2G1B (0.48) ALDH1A1KMT2AMEN1POLBSMN1; 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 ALDH1A1 1354/4885KMT2A 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.