SCHEMBL4856008

SCHEMBL4856008

CCOC(=O)CC(NC(c1ccccc1)c1ccccc1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MDM2 Q00987 1/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
MMP8 P22894 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
F2 P00734 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL11125586 0.84 LMNA (0.48) MDM4LMNAMAPTMDM2ALDH1A1
SCHEMBL4889302 0.82 ADAMTS4 (0.49) LMNAMAPTALDH1A1TSHRCYP3A4
SCHEMBL4882899 0.82 ADAMTS4 (0.49) LMNAMAPTALDH1A1TSHRCYP3A4
SCHEMBL4882907 0.82 ADAMTS4 (0.49) LMNAMAPTALDH1A1TSHRCYP3A4
SCHEMBL4857780 0.80 LMNA (0.45) MDM4LMNAMAPTMDM2ALDH1A1
SCHEMBL23027267 0.80 LTB4R (0.54) ALDH1A1TSHRMMP8CYP3A4CYP2C19
SCHEMBL563306 0.80 LTB4R (0.54) ALDH1A1TSHRMMP8CYP3A4CYP2C19
SCHEMBL13572924 0.80 LTB4R (0.54) ALDH1A1TSHRMMP8CYP3A4CYP2C19
SCHEMBL28242825 0.79 ALDH1A1 (0.47) LMNAMAPTALDH1A1TSHRMMP8
SCHEMBL5231181 0.77 TSHR (0.50) ALDH1A1TSHRMMP8CYP3A4CYP2D6

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 MDM4 4191/4885LMNA 1936/4885MAPT 4153/4885

“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.