SCHEMBL22076554

SCHEMBL22076554

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
NPC1 O15118 2/20 0.54
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 2/20 0.43
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 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
SCHEMBL22076568 0.85 NPC1 (0.60) ALDH1A1NPC1MEN1KMT2AMAPT
SCHEMBL1508442 0.82 MAPT (0.66) ALDH1A1NPC1MEN1KMT2AMAPT
SCHEMBL22076571 0.81 ALDH1A1 (0.53) ALDH1A1NPC1MEN1KMT2AMAPT
SCHEMBL8044437 0.80 ALDH1A1 (0.58) ALDH1A1NPC1MEN1KMT2AMAPT
SCHEMBL22076560 0.80 MAPT (0.53) ALDH1A1NPC1MEN1KMT2AMAPT
SCHEMBL3486388 0.80 NPC1 (0.65) ALDH1A1NPC1MEN1KMT2AMAPT
SCHEMBL9297310 0.80 NPC1 (0.65) ALDH1A1NPC1MEN1KMT2AMAPT
SCHEMBL9297312 0.80 NPC1 (0.65) ALDH1A1NPC1MEN1KMT2AMAPT
SCHEMBL22076552 0.78 ALDH1A1 (0.53) ALDH1A1NPC1MEN1KMT2AMAPT
SCHEMBL12814969 0.78 ALDH1A1 (0.64) ALDH1A1NPC1MEN1KMT2AMAPT

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 ALDH1A1 30/4885NPC1 3396/4885MEN1 3844/4885
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound HSD11B1, HACL2, HAAO ALDH1A1 30/4885NPC1 3396/4885MEN1 3844/4885

“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.