SCHEMBL22076564

SCHEMBL22076564

COC(=O)CC(O)c1cccc(C(=O)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.51
F10 P00742 5/20 0.51
PRSS1 P07477 4/20 0.51
LOXL2 Q9Y4K0 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
SLC7A5 Q01650 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
CASR P41180 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 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
SCHEMBL5662355 0.84 LOXL2 (0.51) LOXL2CYP4F2CYP4A11SLC7A5ADRB2
SCHEMBL9359858 0.84 CYP4F2 (0.54) LOXL2CYP4F2CYP4A11SLC7A5ADRB2
SCHEMBL6330723 0.83 LOXL2 (0.58) LOXL2L3MBTL1CYP4F2CYP4A11SLC7A5
SCHEMBL3182845 0.82 CYP4F2 (0.55) F2F10PRSS1LOXL2CYP4F2
SCHEMBL13882102 0.81 HIF1A (0.57) L3MBTL1ADRB2ADRB1ADRB3RAB9A
SCHEMBL4589132 0.81 MAPT (0.49) F2F10PRSS1LOXL2CYP4A11
SCHEMBL23746338 0.81 LOXL2 (0.48) F2F10PRSS1LOXL2CYP4F2
SCHEMBL31226811 0.81 LOXL2 (0.48) F2F10PRSS1LOXL2CYP4F2
SCHEMBL23746337 0.81 LOXL2 (0.48) F2F10PRSS1LOXL2CYP4F2
SCHEMBL23732388 0.81 LOXL2 (0.48) F2F10PRSS1LOXL2CYP4F2

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 F2 2874/4885F10 4052/4885PRSS1 3378/4885
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound HSD11B1, HACL2, HAAO F2 2874/4885F10 4052/4885PRSS1 3378/4885

“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.