SCHEMBL3595768

SCHEMBL3595768

COc1cc(CCC(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc(Cl)ccc23)C(F)(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PLA2G4A P47712 2/20 0.38
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
UTS2R Q9UKP6 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL3596553 0.93 BCHE (0.38) BCHEACHELMNASMN1; SMN2KDM4E
SCHEMBL3590608 0.92 ACHE (0.37) BCHEACHEMEN1KMT2ASIGMAR1
SCHEMBL3592187 0.91 BCHE (0.38) BCHEACHELMNASMN1; SMN2KDM4E
SCHEMBL13254384 0.91 BCHE (0.38) BCHEACHELMNASMN1; SMN2KDM4E
SCHEMBL3586655 0.90 BCHE (0.38) BCHEACHELMNASMN1; SMN2KDM4E
SCHEMBL3603337 0.88 BCHE (0.36) BCHEACHELMNASMN1; SMN2KDM4E
SCHEMBL13254431 0.87 BCHE (0.38) BCHEACHELMNASMN1; SMN2KDM4E
SCHEMBL3600368 0.87 BCHE (0.38) BCHEACHELMNASMN1; SMN2KDM4E
SCHEMBL13254367 0.86 PLA2G4A (0.34) BCHEACHELMNASMN1; SMN2KDM4E
SCHEMBL3589821 0.86 PRKAA2 (0.37) BCHEACHEUTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 BCHE 3002/4885ACHE 3194/4885LMNA 4335/4885

“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.