SCHEMBL4845400

SCHEMBL4845400

COC(=O)c1ccc(-c2nc(COc3ccc(C=O)cc3OC)c(C)o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
MAPT P10636 9/20 0.52
TP53 P04637 3/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL4855222 0.90 ALDH1A1 (0.52) ALDH1A1MAPTTP53POLBSMN1; SMN2
SCHEMBL4852206 0.88 ALDH1A1 (0.52) ALDH1A1MAPTTP53POLBKMT2A
SCHEMBL6157314 0.86 ALDH1A1 (0.54) ALDH1A1MAPTTP53POLBMEN1
SCHEMBL4845465 0.86 ALDH1A1 (0.51) ALDH1A1MAPTTP53POLBMEN1
SCHEMBL4847922 0.85 MAPT (0.53) MAPTTP53POLBMEN1KMT2A
SCHEMBL4848297 0.83 ALDH1A1 (0.58) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL4029430 0.82 MAPT (0.50) ALDH1A1MAPTTP53POLBSMN1; SMN2
SCHEMBL4850825 0.80 ALDH1A1 (0.44) ALDH1A1MAPTTP53POLBMEN1
SCHEMBL4850654 0.80 ALDH1A1 (0.47) ALDH1A1MAPTKMT2ASMN1; SMN2CYP2C9
SCHEMBL4851743 0.80 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 ALDH1A1 821/4885MAPT 4700/4885TP53 4408/4885

“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.