SCHEMBL5829435

SCHEMBL5829435

COC(=O)CC(O)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
MTNR1A P48039 1/20 0.47
TSHR P16473 1/20 0.45
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
ALDH1A1 P00352 1/20 0.42
AOC3 Q16853 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL28754169 1.00 CYP2C19 (0.48) CYP2C19CYP1A2MTNR1ATSHRCYP2C9
SCHEMBL23481637 0.90 CYP2C19 (0.45) CYP2C19CYP1A2MTNR1ATSHRCYP2C9
SCHEMBL27924168 0.85 TNF (0.49) CYP2C19TSHRCYP2C9HPGDHTT
SCHEMBL2298638 0.83 CYP2C19 (0.47) CYP2C19CYP1A2CYP2C9HPGDHTT
SCHEMBL27553227 0.82 CYP2C9 (0.48) CYP2C19CYP1A2MTNR1ATSHRCYP2C9
SCHEMBL27553228 0.82 CYP2C9 (0.48) CYP2C19CYP1A2MTNR1ATSHRCYP2C9
SCHEMBL13557329 0.82 AOC3 (0.47) CYP2C19CYP1A2CYP2C9HPGDHTT
SCHEMBL5280121 0.81 CYP2C19 (0.51) CYP2C19CYP1A2MTNR1ACYP2C9HPGD
SCHEMBL5280903 0.81 CYP2C19 (0.51) CYP2C19CYP1A2MTNR1ACYP2C9HPGD
SCHEMBL14582256 0.81 MTNR1A (0.45) CYP2C19CYP1A2MTNR1ACYP2C9HPGD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound WENZHOU UNIVERSITY (CN) 2021-02-02 US disclosed
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound WENZHOU UNIVERSITY (CN) 2021-02-02 US disclosed
CN-109734600-B Synthesis method of chiral beta-hydroxy acid ester compound 温州大学 2020-09-15 CN disclosed
US-20200190013-A1 METHOD FOR SYNTHESIZING CHIRAL BETA-HYDROXY ACID ESTER COMPOUND WENZHOU UNIVERSITY (CN) 2020-06-18 US disclosed
US-20200190013-A1 METHOD FOR SYNTHESIZING CHIRAL BETA-HYDROXY ACID ESTER COMPOUND WENZHOU UNIVERSITY (CN) 2020-06-18 US disclosed
CN-109734600-A A kind of synthetic method of chiral beta carboxylic acid ester type compound 温州大学 2019-05-10 CN disclosed
US-RE39333-E1 Process for the preparation of 5-hydroxy-3-oxopentanoic acid derivatives KANEKA CORPORATION (JP) 2006-10-10 US disclosed
EP-1104750-B1 PROCESSES FOR THE PREPARATION OF 5-HYDROXY-3-OXOPENTANOIC ACID DERIVATIVES KANEKA CORP (JP) 2004-04-14 EP disclosed
US-6340767-B1 REACTION OF LITHIUM AMIDE WITH ACETIC ACID ESTER AND HYDROXY PROPIONIC ACID KANEKA CORPORATION (JP) 2002-01-22 US disclosed
EP-1104750-A1 PROCESSES FOR THE PREPARATION OF 5-HYDROXY-3-OXOPENTANOIC ACID DERIVATIVES KANEKA CORPORATION (JP) 2001-06-06 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 (2 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-20200190013-A1 METHOD FOR SYNTHESIZING CHIRAL BETA-HYDROXY ACID ESTER COMPOUND HSD11B1, HACL2, HAAO CYP2C19 234/4885CYP1A2 448/4885MTNR1A 4055/4885
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound HSD11B1, HACL2, HAAO CYP2C19 234/4885CYP1A2 448/4885MTNR1A 4055/4885

“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.