SCHEMBL22076577

SCHEMBL22076577

COC(=O)CC(O)c1ccc(C#N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.62
KCNA5 P22460 2/20 0.46
F2R P25116 1/20 0.46
MAPT P10636 4/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL388289 0.83 HTT (0.60) HTTKCNA5MAPTKDM4EGAA
SCHEMBL388288 0.83 HTT (0.60) HTTKCNA5MAPTKDM4EGAA
SCHEMBL6288702 0.82 KCNA5 (0.53) HTTKCNA5L3MBTL1EGLN1
SCHEMBL28509173 0.81 MAPT (0.48) HTTF2RMAPTKDM4EGAA
SCHEMBL28509175 0.81 MAPT (0.48) HTTF2RMAPTKDM4EGAA
SCHEMBL29955489 0.80 HTT (0.58) HTTKCNA5F2RMAPTKDM4E
SCHEMBL14042112 0.80 TAAR1 (0.52) HTTMAPTKDM4EADRB2ALDH1A1
SCHEMBL4486192 0.80 TAAR1 (0.52) HTTMAPTKDM4EADRB2ALDH1A1
SCHEMBL13891121 0.80 KDM4E (0.56) HTTF2RMAPTKDM4EGAA
SCHEMBL4484678 0.80 TAAR1 (0.52) HTTMAPTKDM4EADRB2ALDH1A1

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 6 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

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 1595/4885KCNA5 1361/4885F2R 3796/4885
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound HSD11B1, HACL2, HAAO HTT 1595/4885KCNA5 1361/4885F2R 3796/4885

“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.