SCHEMBL4296960

SCHEMBL4296960

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2C19 P33261 1/20 0.46
ACHE P22303 1/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 2/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL4752093 0.86 ALDH1A1 (0.44) L3MBTL1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4301380 0.85 SMN1; SMN2 (0.46) POLBALDH1A1CYP2C19LMNAMAPT
SCHEMBL4301342 0.85 ALDH1A1 (0.42) POLBALDH1A1CYP2C19MAPTSMN1; SMN2
SCHEMBL4298277 0.85 KDM4E (0.45) POLBALDH1A1CYP2C19LMNAMAPT
SCHEMBL4292826 0.84 ALDH1A1 (0.50) L3MBTL1POLBALDH1A1CYP2C19MAPT
SCHEMBL4294973 0.84 MGLL (0.40) L3MBTL1POLBALDH1A1CYP2C19LMNA
SCHEMBL4753498 0.83 ALDH1A1 (0.48) L3MBTL1POLBALDH1A1CYP2C19MAPT
SCHEMBL4298297 0.83 MGLL (0.46) POLBALDH1A1CYP2C19MAPTMGLL
SCHEMBL4293508 0.80 ALDH1A1 (0.42) POLBALDH1A1CYP2C19MAPTSMN1; SMN2
SCHEMBL4288263 0.80 NPSR1 (0.43) L3MBTL1POLBALDH1A1CYP2C19LMNA

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 L3MBTL1 3597/4885POLB 3799/4885ALDH1A1 388/4885

“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.