SCHEMBL22076569

SCHEMBL22076569

COC(=O)CC(O)c1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.55
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 1/20 0.55
HIF1A Q16665 1/20 0.55
AOC3 Q16853 1/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC8 Q9BY41 1/20 0.51
UGT2B7 P16662 1/20 0.50
TNF P01375 1/20 0.46
SLC6A2 P23975 4/20 0.46
SLC6A4 P31645 4/20 0.46
SLC6A3 Q01959 4/20 0.46
KCNH2 Q12809 3/20 0.46
CYP3A4 P08684 1/20 0.46
MMP9 P14780 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45

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
SCHEMBL12320564 0.86 SLC6A2 (0.50) CYP2D6UGT2B7TNFSLC6A2SLC6A4
SCHEMBL17451237 0.84 UGT2B7 (0.50) CYP2D6MEN1CYP1A2TSHRKMT2A
SCHEMBL2294505 0.83 TNF (0.45) CYP2D6MEN1CYP1A2TSHRKMT2A
SCHEMBL10985847 0.82 HDAC1 (0.67) CYP2D6MEN1CYP1A2TSHRKMT2A
SCHEMBL27698782 0.82 MEN1 (0.55) CYP2D6MEN1CYP1A2TSHRKMT2A
SCHEMBL28905360 0.82 MEN1 (0.55) CYP2D6MEN1CYP1A2TSHRKMT2A
Hydrochloric Acid SCHEMBL6778876 0.82 TNF (0.44) CYP2D6MEN1KMT2AAOC3UGT2B7
SCHEMBL12600086 0.81 ROCK2 (0.48)
SCHEMBL12278859 0.81 SLC6A3 (0.47) CYP2D6HIF1ATNFSLC6A2SLC6A4
SCHEMBL13933868 0.80 CYP2D6 (0.53) CYP2D6MEN1CYP1A2TSHRKMT2A

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 CYP2D6 206/4885MEN1 3844/4885CYP1A2 448/4885
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound HSD11B1, HACL2, HAAO CYP2D6 206/4885MEN1 3844/4885CYP1A2 448/4885

“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.