SCHEMBL4387101

SCHEMBL4387101

CCOC(=O)C1CCN(C/C=C2/CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CCC2O[Si](C)(C)C(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 6/20 0.42
KMT2A Q03164 4/20 0.42
TSHR P16473 2/20 0.42
LTA4H P09960 1/20 0.42
MAPT P10636 4/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
NPSR1 Q6W5P4 3/20 0.40
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCR8 P51685 1/20 0.39

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
SCHEMBL4387105 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EKMT2ATSHRLTA4H
SCHEMBL4387096 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EKMT2ATSHRLTA4H
SCHEMBL4389843 0.85 POLB (0.35) ALDH1A1KDM4EKMT2ALTA4HMAPT
SCHEMBL4385212 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2ATSHRLTA4H
SCHEMBL4385216 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2ATSHRLTA4H
SCHEMBL4385217 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2ATSHRLTA4H
SCHEMBL4394334 0.85 CHRM2 (0.34) TSHRMAPTNPSR1NFKB1
SCHEMBL4394332 0.85 CHRM2 (0.34) TSHRMAPTNPSR1NFKB1
SCHEMBL4394336 0.85 CHRM2 (0.34) TSHRMAPTNPSR1NFKB1
SCHEMBL4391757 0.84 MEN1 (0.38) ALDH1A1KDM4EKMT2ATSHRMEN1

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-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-10 US disclosed
EP-1889835-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP Daiichi Sankyo Company, Limited (JP) 2008-02-20 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-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP CBR3, CNR1, C3AR1 ALDH1A1 2601/4885KDM4E 2035/4885KMT2A 2696/4885

“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.