SCHEMBL22076560

SCHEMBL22076560

CCCOC(=O)CC(O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
LMNA P02545 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 1/20 0.51
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 1/20 0.41

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
SCHEMBL22076552 0.92 ALDH1A1 (0.53) MAPTLMNAKDM4EALDH1A1NPC1
SCHEMBL1508442 0.89 MAPT (0.66) MAPTLMNAKDM4EALDH1A1NPC1
SCHEMBL5720975 0.85 MAPT (0.52) MAPTLMNAKDM4EALDH1A1NPC1
SCHEMBL22076568 0.82 NPC1 (0.60) MAPTLMNAKDM4EALDH1A1NPC1
SCHEMBL22076554 0.80 ALDH1A1 (0.54) MAPTLMNAKDM4EALDH1A1NPC1
SCHEMBL22076571 0.79 ALDH1A1 (0.53) MAPTLMNAKDM4EALDH1A1NPC1
SCHEMBL9297312 0.77 NPC1 (0.65) MAPTLMNAKDM4EALDH1A1NPC1
SCHEMBL3486388 0.77 NPC1 (0.65) MAPTLMNAKDM4EALDH1A1NPC1
SCHEMBL9297310 0.77 NPC1 (0.65) MAPTLMNAKDM4EALDH1A1NPC1
SCHEMBL4867981 0.76 ALDH1A1 (0.64) MAPTKDM4EALDH1A1NPC1BCL9

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 MAPT 4125/4885LMNA 3235/4885KDM4E 2188/4885
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound HSD11B1, HACL2, HAAO MAPT 4125/4885LMNA 3235/4885KDM4E 2188/4885

“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.