SCHEMBL4292826

SCHEMBL4292826

COc1cc(C(C)=O)ccc1O[C@@H](C)OC(=O)N1CCN(C(=O)O[C@H](C)Oc2ccc(C(C)=O)cc2OC)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CYP2C19 P33261 2/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.41
HRH3 Q9Y5N1 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
SCHEMBL4297922 0.85 L3MBTL1 (0.50) ALDH1A1POLBMAPTSMN1; SMN2KMT2A
SCHEMBL4296960 0.84 L3MBTL1 (0.47) ALDH1A1CYP2C19POLBMAPTSMN1; SMN2
SCHEMBL4301342 0.83 ALDH1A1 (0.42) ALDH1A1CYP2C19POLBMAPTSMN1; SMN2
SCHEMBL4301380 0.83 SMN1; SMN2 (0.46) ALDH1A1CYP2C19POLBMAPTSMN1; SMN2
SCHEMBL4298277 0.83 KDM4E (0.45) ALDH1A1CYP2C19POLBMAPTKMT2A
SCHEMBL4753498 0.81 ALDH1A1 (0.48) ALDH1A1CYP2C19POLBMAPTSMN1; SMN2
SCHEMBL4298297 0.81 MGLL (0.46) ALDH1A1CYP2C19POLBMAPTATM
SCHEMBL4293508 0.78 ALDH1A1 (0.42) ALDH1A1CYP2C19POLBMAPTSMN1; SMN2
SCHEMBL5466423 0.77 ALDH1A1 (0.56) ALDH1A1CYP2C19POLBMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL28182330 0.75 POLB (0.52) ALDH1A1CYP2C19POLBMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US 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-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885CYP2C19 19/4885POLB 3799/4885

“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.