SCHEMBL4855845

SCHEMBL4855845

COC(=O)CC(NCc1ccccc1)c1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
UTS2R Q9UKP6 2/20 0.44
ATM Q13315 2/20 0.44
POLB P06746 1/20 0.44
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41

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
SCHEMBL4848178 0.94 PKM (0.54) PKMSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL8996527 0.91 MEN1 (0.51) SMN1; SMN2MEN1KMT2APOLB
SCHEMBL4852674 0.91 MEN1 (0.51) SMN1; SMN2MEN1KMT2APOLB
SCHEMBL8996556 0.91 MEN1 (0.51) SMN1; SMN2MEN1KMT2APOLB
SCHEMBL4847843 0.89 PPID (0.49) PKMSMN1; SMN2MEN1KMT2ACNR1
SCHEMBL4855940 0.89 MEN1 (0.44) SMN1; SMN2MEN1KMT2AL3MBTL1ATM
SCHEMBL4855579 0.88 ALDH1A1 (0.48) SMN1; SMN2MEN1KMT2ACNR2POLB
SCHEMBL4850988 0.88 MEN1 (0.57) SMN1; SMN2MEN1KMT2ACNR1CNR2
SCHEMBL4852606 0.88 PLA2G1B (0.55) MEN1KMT2ACNR2L3MBTL1ATM
SCHEMBL4890080 0.87 SMN1; SMN2 (0.51) PKMSMN1; SMN2MEN1KMT2ACNR1

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 PKM 3960/4885SMN1; SMN2 4168/4885MEN1 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.