SCHEMBL4855563

SCHEMBL4855563

CCC(CC(=O)OC)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.46
KCNA5 P22460 3/20 0.45
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
MDM4 O15151 1/20 0.39
MAPT P10636 1/20 0.39
MDM2 Q00987 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL13674818 0.86 POLB (0.49) LMNAPOLBKCNA5ALDH1A1KMT2A
SCHEMBL4889698 0.85 LMNA (0.54) LMNAPOLBTSHRALDH1A1KMT2A
SCHEMBL4885604 0.85 LMNA (0.54) LMNAPOLBTSHRALDH1A1KMT2A
SCHEMBL4885621 0.85 LMNA (0.54) LMNAPOLBTSHRALDH1A1KMT2A
SCHEMBL4850873 0.82 CTSG (0.51) TSHRKCNA5KMT2AHPGDMEN1
SCHEMBL11125586 0.81 LMNA (0.48) LMNAPOLBTSHRALDH1A1KMT2A
SCHEMBL4855666 0.81 TSHR (0.49) POLBTSHRKCNA5ALDH1A1KMT2A
SCHEMBL4848433 0.81 KCNA5 (0.50) TSHRKCNA5ALDH1A1KMT2AHPGD
SCHEMBL4857780 0.78 LMNA (0.45) LMNAPOLBTSHRALDH1A1KMT2A
SCHEMBL10003453 0.78 LMNA (0.45) LMNAPOLBKCNA5ALDH1A1KMT2A

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 1936/4885POLB 2773/4885TSHR 2523/4885

“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.