SCHEMBL6404526

SCHEMBL6404526

COc1ccc([C@@](C)(O)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50
APEX1 P27695 1/20 0.50
MAPK1 P28482 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
HSD11B1 P28845 1/20 0.46
AOC3 Q16853 1/20 0.46
PLK1 P53350 1/20 0.46
KMT2A Q03164 2/20 0.45
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL1371089 1.00 MAPT (0.51) MAPTCA1CA2ALDH1A1LMNA
SCHEMBL30577887 0.84 KDM4E (0.53) ALDH1A1HSD17B10
SCHEMBL7332434 0.84 KDM4E (0.53) ALDH1A1HSD17B10
SCHEMBL8591431 0.82 MAPT (0.54) MAPTCA1CA2ALDH1A1LMNA
SCHEMBL7358417 0.82 MAPT (0.53) MAPTCA1CA2ALDH1A1LMNA
SCHEMBL5144776 0.82 CA1 (0.52) MAPTCA1CA2ALDH1A1LMNA
SCHEMBL4232572 0.82 CA1 (0.52) MAPTCA1CA2ALDH1A1LMNA
SCHEMBL2795435 0.82 CYP2C9 (0.55) MAPTCA1CA2ALDH1A1LMNA
SCHEMBL1939457 0.82 AKR1C3 (0.54) MAPTCA1CA2ALDH1A1LMNA
SCHEMBL2327512 0.82 CA1 (0.52) MAPTCA1CA2ALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924156-A Synthesis method of aza-aryl alcohol compound and chiral alpha-hydroxycarboxylic acid 赣南师范大学 2024-04-26 CN disclosed
US-6846835-B2 Treating chronic obstructive pulmonary disease, chronic bronchitis, asthma, chronic respiratory tract obstruction, fibroid lung, pulmonary emphysema or rhinitis BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-01-25 US disclosed
US-20030191316-A1 Ester derivatives MSD K.K. (JP) 2003-10-09 US 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 (1 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-20030191316-A1 Ester derivatives CHRM3, CHRM2, CHRM1 MAPT 4510/4885CA1 3467/4885CA2 2104/4885

“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.