SCHEMBL22076573

SCHEMBL22076573

COC(=O)CC(O)c1ccccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.48
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
GAA P10253 3/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.40
NLRP3 Q96P20 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL11111246 0.85 KCNA5 (0.51) KCNA5ALDH1A1TSHRHPGDGAA
SCHEMBL22076575 0.85 PPARG (0.37) KCNA5ALDH1A1TSHRHPGDMAPT
SCHEMBL28008164 0.80 KCNA5 (0.45) KCNA5ALDH1A1TSHRHPGDGAA
SCHEMBL8770909 0.78 HTT (0.51) HPGDPOLBSMN1; SMN2HTTL3MBTL1
SCHEMBL20749074 0.76 PPARG (0.42) KCNA5ALDH1A1TSHRHPGDHTT
SCHEMBL8770955 0.76 CYP2C19 (0.52) KCNA5ALDH1A1TSHRPOLBHTT
SCHEMBL28036323 0.76 CYP2C19 (0.52) KCNA5ALDH1A1TSHRPOLBHTT
SCHEMBL8770892 0.76 MEN1 (0.44) ALDH1A1GAAHTTCYP3A4MAPT
SCHEMBL3537300 0.76 ADRB2 (0.53)
SCHEMBL28032089 0.76 MEN1 (0.44) ALDH1A1GAAHTTCYP3A4MAPT

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 5 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
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 KCNA5 1361/4885ALDH1A1 30/4885TSHR 4393/4885
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound HSD11B1, HACL2, HAAO KCNA5 1361/4885ALDH1A1 30/4885TSHR 4393/4885

“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.