SCHEMBL8770955

SCHEMBL8770955

COC(=O)CC(O)c1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.52
CYP2C9 P11712 1/20 0.52
HTT P42858 1/20 0.45
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PPARG P37231 1/20 0.39
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP26A1 O43174 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KCNA5 P22460 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
SCHEMBL28036323 1.00 CYP2C19 (0.52) CYP2C19CYP2C9HTTKMT2AKDM4E
SCHEMBL8771032 0.89 CYP2C9 (0.45) CYP2C19CYP2C9HTTKMT2AKDM4E
SCHEMBL7529144 0.84 TSHR (0.44) CYP2C19CYP2C9HTTKMT2ATSHR
SCHEMBL7112192 0.83 CYP2C19 (0.56) CYP2C19CYP2C9HTTKMT2AKDM4E
SCHEMBL8771331 0.83 HTT (0.42) CYP2C19CYP2C9HTTKMT2ASLC18A3
SCHEMBL8770909 0.81 HTT (0.51) HTTPPARGPOLB
SCHEMBL3537300 0.80 ADRB2 (0.53)
SCHEMBL20749074 0.80 PPARG (0.42) CYP2C19CYP2C9HTTPPARGTSHR
SCHEMBL8770892 0.80 MEN1 (0.44) HTTKMT2APPARGALDH1A1CYP3A4
SCHEMBL28032089 0.80 MEN1 (0.44) HTTKMT2APPARGALDH1A1CYP3A4

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 9 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
EP-0451668-B1 Process for the production of optically active alkyl 3-aryl-3-hydroxypropionates CHISSO CORP (JP) 1997-08-13 EP disclosed
US-5202457-A Enzyme catalyzed transesterification, resolution of optical active alkyl 3-aryl-3-hydroxypropionate CHISSO CORPORATION (JP) 1993-04-13 US disclosed
EP-0451668-A2 Optically active alkyl 3-aryl-3-hydroxypropionates and a method for producing thereof CHISSO CORPORATION (JP) 1991-10-16 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 234/4885CYP2C9 209/4885HTT 1595/4885
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound HSD11B1, HACL2, HAAO CYP2C19 234/4885CYP2C9 209/4885HTT 1595/4885

“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.