SCHEMBL4856893

SCHEMBL4856893

COC(=O)CC(NCc1ccccc1OC)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.57
HTT P42858 1/20 0.57
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HDAC1 Q13547 1/20 0.46
ANPEP P15144 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL4885858 0.89 HPGD (0.57) HPGDHTTATML3MBTL1ALDH1A1
SCHEMBL4884410 0.89 HPGD (0.57) HPGDHTTATML3MBTL1ALDH1A1
SCHEMBL4884392 0.89 HPGD (0.57) HPGDHTTATML3MBTL1ALDH1A1
SCHEMBL4858599 0.83 SLC1A2 (0.42) ALDH1A1MEN1KMT2ARAB9A
SCHEMBL4857761 0.83 TSHR (0.47) HPGDHTTALDH1A1TSHRPOLB
SCHEMBL13257870 0.82 ATM (0.56) HPGDHTTATML3MBTL1ALDH1A1
SCHEMBL6374910 0.80 PLA2G1B (0.48) HPGDL3MBTL1ALDH1A1TSHRPOLB
SCHEMBL4854425 0.80 PLA2G1B (0.48) HPGDL3MBTL1ALDH1A1TSHRPOLB
SCHEMBL4855636 0.79 POLB (0.48) L3MBTL1ALDH1A1POLBMEN1KMT2A
SCHEMBL4854849 0.77 HPGD (0.52) HPGDHTTALDH1A1TSHRPOLB

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 HPGD 470/4885HTT 487/4885ATM 3793/4885

“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.