SCHEMBL4849574

SCHEMBL4849574

COC(=O)CC(Cc1ccc(OC)c(OC)c1)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.53
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
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 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 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
SCHEMBL4888641 0.91 LDHA (0.55) LDHAALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4888632 0.91 LDHA (0.55) LDHAALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4891278 0.91 LDHA (0.55) LDHAALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4848083 0.88 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL4856050 0.86 SIGMAR1 (0.49) MAPTKMT2AMEN1SIGMAR1CYP3A4
SCHEMBL5022424 0.85 SMN1; SMN2 (0.52) LDHAALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4858501 0.84 NPC1 (0.52) LDHAALDH1A1KMT2AMEN1PPARA
SCHEMBL4858012 0.82 MEN1 (0.50) ALDH1A1KMT2AMEN1CYP3A4HTT
SCHEMBL4857979 0.82 OPRD1 (0.46) SIGMAR1
SCHEMBL4408805 0.81 MEN1 (0.48) ALDH1A1LMNAMAPTKMT2AMEN1

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.