SCHEMBL22076552

SCHEMBL22076552

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 6/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
NPC1 O15118 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
BCL9 O00512 1/20 0.48
CTNNB1 P35222 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALOX12 P18054 1/20 0.46
MGLL Q99685 2/20 0.46
PKM P14618 1/20 0.42

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
SCHEMBL22076560 0.92 MAPT (0.53) ALDH1A1TDP1MAPTLMNAKDM4E
SCHEMBL1508442 0.86 MAPT (0.66) ALDH1A1MAPTLMNAKDM4ECRHBP
SCHEMBL22076568 0.80 NPC1 (0.60) ALDH1A1MAPTLMNAKDM4ENPC1
SCHEMBL27461469 0.80 SMN1; SMN2 (0.58) ALDH1A1TDP1LMNANPC1L3MBTL1
SCHEMBL9392854 0.78 ALDH1A1 (0.62) ALDH1A1MAPTLMNAKDM4ENPC1
SCHEMBL22076554 0.78 ALDH1A1 (0.54) ALDH1A1MAPTLMNAKDM4ENPC1
SCHEMBL5720975 0.77 MAPT (0.52) ALDH1A1TDP1MAPTLMNAKDM4E
SCHEMBL22076571 0.77 ALDH1A1 (0.53) ALDH1A1MAPTLMNAKDM4ENPC1
SCHEMBL27517821 0.77 MAPT (0.59) ALDH1A1TDP1MAPTLMNACRHBP
SCHEMBL27946170 0.77 NR5A1 (0.51) ALDH1A1LMNANPC1

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 30/4885TDP1 4842/4885MAPT 4125/4885
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound HSD11B1, HACL2, HAAO ALDH1A1 30/4885TDP1 4842/4885MAPT 4125/4885

“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.