SCHEMBL8770971

SCHEMBL8770971

COC(=O)CC(O)c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.59
MAPT P10636 2/20 0.59
ALDH1A1 P00352 2/20 0.59
AOC3 Q16853 1/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CRHBP P24387 1/20 0.43
CYP2C19 P33261 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 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
SCHEMBL14042112 0.84 TAAR1 (0.52) HTTMAPTALDH1A1LMNACYP2C9
SCHEMBL4486192 0.84 TAAR1 (0.52) HTTMAPTALDH1A1LMNACYP2C9
SCHEMBL4484678 0.84 TAAR1 (0.52) HTTMAPTALDH1A1LMNACYP2C9
SCHEMBL28827835 0.84 MAPT (0.47) HTTMAPTALDH1A1LMNARAB9A
SCHEMBL6578974 0.84 ALDH1A1 (0.60) HTTMAPTALDH1A1LMNAGAA
SCHEMBL20028731 0.83 MAPT (0.47) HTTMAPTALDH1A1AOC3LMNA
SCHEMBL639304 0.83 MAPT (0.49) HTTMAPTALDH1A1AOC3LMNA
SCHEMBL639305 0.83 MAPT (0.49) HTTMAPTALDH1A1AOC3LMNA
SCHEMBL4453208 0.82 MAPT (0.44) HTTMAPTALDH1A1LMNARAB9A
SCHEMBL5468798 0.82 AOC3 (0.57) HTTMAPTALDH1A1AOC3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105063112-A Method for producing methyl (S)-fluorophenylhydroxy propionate by using yeast UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-11-18 CN claimed
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
CN-105063112-A Method for producing methyl (S)-fluorophenylhydroxy propionate by using yeast UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-11-18 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 HTT 1595/4885MAPT 4125/4885ALDH1A1 30/4885
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound HSD11B1, HACL2, HAAO HTT 1595/4885MAPT 4125/4885ALDH1A1 30/4885

“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.