SCHEMBL4066169

SCHEMBL4066169

COc1ccc(COc2nccc3c2COC32CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.48
NPC1 O15118 2/20 0.43
TP53 P04637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ADRA2A P08913 1/20 0.43

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
SCHEMBL4075995 0.79 SIGMAR1 (0.51) SIGMAR1
SCHEMBL16836045 0.70 SIGMAR1 (0.56) SIGMAR1ADRA2A
SCHEMBL28217942 0.69 SIGMAR1 (1.00) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL15160120 0.69 SIGMAR1 (0.72) SIGMAR1ADRA2A
SCHEMBL2514601 0.68 SIGMAR1 (0.60) SIGMAR1
Hydrochloric Acid SCHEMBL4068594 0.68 SIGMAR1 (0.49) SIGMAR1
SCHEMBL7016275 0.67 SIGMAR1 (0.72) SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL20955200 0.67 SIGMAR1 (0.47) SIGMAR1NPC1TP53KDM4EALDH1A1
SCHEMBL2911419 0.67 SIGMAR1 (0.49) SIGMAR1NPC1TP53KDM4EALDH1A1
SCHEMBL4068846 0.66 SIGMAR1 (0.48) SIGMAR1

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-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 US disclosed
EP-2072519-A1 DIARYL KETIMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-24 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-20090247560-A1 Diaryl ketimine derivative NR0B2, NR2C2, NR3C2 SIGMAR1 1623/4885NPC1 1131/4885TP53 4644/4885

“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.