SCHEMBL4529653

SCHEMBL4529653

CCOC(=O)CC(C(=O)CC)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 6/20 0.42
ALOX15 P16050 3/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TRPA1 O75762 1/20 0.41
HSD17B10 Q99714 2/20 0.41
CHRM1 P11229 1/20 0.41
ADORA1 P30542 1/20 0.41
SOAT1 P35610 1/20 0.39
CYP2D6 P10635 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL508774 0.91 GAA (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL430204 0.87 MGAM (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10843736 0.84 GAA (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3538530 0.83 ALDH1A1 (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL460011 0.81 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3142804 0.80 SOAT1 (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL14925275 0.80 L3MBTL1 (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10718923 0.80 DGKA (0.43) ALDH1A1LMNAKMT2A
SCHEMBL11565070 0.79 ALOX15 (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4661806 0.79 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4578861-A1 NOVEL TRICYCLIC HETEROCYCLIC CARBALDEHYDE COMPOUND AND PHARMACEUTICAL COMPOSITION, CONTAINING SAME, FOR IRE1ALPHA INHIBITION Hanmi Pharm. Co., Ltd. (KR) 2025-07-02 EP disclosed
CN-119998294-A Novel tricyclic heterocyclic aldehyde compounds and pharmaceutical compositions for inhibiting IRE1 alpha comprising the same 韩美药品株式会社 2025-05-13 CN disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 EP 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-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR MGAM 4372/4885GAA 4536/4885SI 4799/4885

“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.