SCHEMBL22076572

SCHEMBL22076572

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.49
BCHE P06276 1/20 0.49
APP P05067 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FBP1 P09467 1/20 0.47
GRIK1 P39086 1/20 0.47
GRIK2 Q13002 1/20 0.47
PTGS2 P35354 4/20 0.46
PTGS1 P23219 1/20 0.46
CYP1B1 Q16678 1/20 0.46
MAPT P10636 4/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SNCA P37840 1/20 0.44
MAOA P21397 3/20 0.43
POLB P06746 1/20 0.43
CYP19A1 P11511 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
SCHEMBL6535242 0.87 KMT2A (0.50) MAOBBCHEAPPMEN1KMT2A
SCHEMBL6535451 0.87 KMT2A (0.50) MAOBBCHEAPPMEN1KMT2A
SCHEMBL22113522 0.83 PTGS2 (0.59) MAOBAPPMEN1KMT2APTGS2
SCHEMBL8885832 0.79 PAM (0.50) MAOBBCHECYP1B1MAPT
SCHEMBL16859620 0.78 CYP1A2 (0.47) MAOBMEN1KMT2AGRIK1GRIK2
SCHEMBL16859619 0.78 CYP1A2 (0.47) MAOBMEN1KMT2AGRIK1GRIK2
SCHEMBL4914085 0.74 PAM (0.59) MAOBBCHEAPPMEN1KMT2A
SCHEMBL4632485 0.74 MAOB (0.54) MAOBBCHEAPPMEN1KMT2A
SCHEMBL4632486 0.74 MAOB (0.54) MAOBBCHEAPPMEN1KMT2A
SCHEMBL3103681 0.73 GRIK1 (0.68) MAOBBCHEAPPMEN1KMT2A

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
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
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 MAOB 1306/4885BCHE 442/4885APP 328/4885
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound HSD11B1, HACL2, HAAO MAOB 1306/4885BCHE 442/4885APP 328/4885

“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.