SCHEMBL4589132

SCHEMBL4589132

COC(=O)CC(O)c1ccc(C(=O)OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA7 P43166 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.44
CYP4A11 Q02928 1/20 0.44
DPP4 P27487 2/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PRSS1 P07477 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL277185 0.86 TSHR (0.50) MAPTCA1CA2CA12CA9
SCHEMBL276357 0.86 MAPT (0.42) MAPTCA1CA2CA12CA9
SCHEMBL28045016 0.83 ALDH1A1 (0.42) MAPTTDP1TSHRALDH1A1CYP4A11
SCHEMBL4486192 0.82 TAAR1 (0.52) MAPTCA1CA2CA12CA9
SCHEMBL28827835 0.82 MAPT (0.47) MAPTTDP1ALDH1A1RAB9A
SCHEMBL14042112 0.82 TAAR1 (0.52) MAPTCA1CA2CA12CA9
SCHEMBL4484678 0.82 TAAR1 (0.52) MAPTCA1CA2CA12CA9
SCHEMBL31376526 0.82 CA1 (0.52) MAPTCA1CA2CA12CA9
SCHEMBL867166 0.82 CA1 (0.52) MAPTCA1CA2CA12CA9
SCHEMBL14331342 0.82 MAPT (0.45) MAPTCA1CA2CA12CA9

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 12 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
EP-1976511-A2 FLUORINATED ARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-08 EP disclosed
EP-1973405-A2 HYDROXYALKYLARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-01 EP disclosed
WO-2007087130-A2 HYDROXYALKYLARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 WO disclosed
WO-2007087129-A2 FLUORINATED ARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 WO disclosed
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO 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 MAPT 4125/4885CA1 1736/4885CA2 1061/4885
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound HSD11B1, HACL2, HAAO MAPT 4125/4885CA1 1736/4885CA2 1061/4885

“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.