SCHEMBL4854046

SCHEMBL4854046

COC(=O)CC(NC(c1ccccc1)c1ccccc1)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
POLB P06746 1/20 0.44
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
TSHR P16473 1/20 0.43
UTS2R Q9UKP6 2/20 0.42
TACR3 P29371 1/20 0.42
KCNA5 P22460 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
SLC6A9 P48067 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
SCHEMBL4855666 0.93 TSHR (0.49) MEN1KMT2APOLBTSHRTACR3
SCHEMBL4856344 0.87 ALDH1A1 (0.49) LMNAMEN1KMT2APOLBCNR2
SCHEMBL4854181 0.87 GPR88 (0.52) LMNAMEN1KMT2ACNR1CNR2
SCHEMBL4886917 0.87 LMNA (0.54) LMNAMEN1KMT2ACNR1CNR2
SCHEMBL4886930 0.87 LMNA (0.54) LMNAMEN1KMT2ACNR1CNR2
SCHEMBL4889290 0.87 LMNA (0.54) LMNAMEN1KMT2ACNR1CNR2
SCHEMBL4848178 0.82 PKM (0.54) PKMMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4855845 0.82 PKM (0.48) PKMMEN1KMT2APOLBCNR1
SCHEMBL4857878 0.81 TNF (0.54) LMNAMEN1KMT2APOLBSMN1; SMN2
SCHEMBL4858585 0.79 KCNA5 (0.49) MEN1KMT2APOLBTACR3KCNA5

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 LMNA 1936/4885PKM 3960/4885MEN1 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.