SCHEMBL5455563

SCHEMBL5455563

O=C(CCCc1ccccc1)Nc1ccc2[nH]c3c(c2c1)CCCC3NC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RB1 P06400 6/20 0.57
EPHX2 P34913 1/20 0.47
EPHX1 P07099 1/20 0.44
CDC42 P60953 1/20 0.44
CYP2D6 P10635 1/20 0.43
PARP1 P09874 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TRPV1 Q8NER1 1/20 0.41
P2RY12 Q9H244 1/20 0.41
POLB P06746 1/20 0.41
BRD3 Q15059 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL5452796 0.95 RB1 (0.56) RB1CDC42CYP2D6PARP1SMN1; SMN2
SCHEMBL5468135 0.86 RB1 (0.55) RB1CDC42CYP2D6SMN1; SMN2BRD3
SCHEMBL5475990 0.84 RB1 (0.54) RB1CDC42CYP2D6NPC1RAB9A
SCHEMBL5456655 0.84 RB1 (0.56) RB1CDC42CYP2D6SMN1; SMN2BRD3
SCHEMBL5451546 0.83 RB1 (0.55) RB1EPHX2CYP2D6NPC1RAB9A
SCHEMBL5459687 0.81 RB1 (0.57) RB1EPHX1CDC42NPC1RAB9A
SCHEMBL5449016 0.81 BRD3 (0.51) RB1BRD3
SCHEMBL5468005 0.81 RB1 (0.51) RB1CDC42CYP2D6SMN1; SMN2BRD3
SCHEMBL5460471 0.80 RB1 (0.58) RB1CDC42CYP2D6SMN1; SMN2BRD3
SCHEMBL5466568 0.80 RB1 (0.58) RB1CDC42CYP2D6SMN1; SMN2BRD3

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-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 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-20070276009-A1 Compositions and Methods for Viral Inhibition MAVS, SARS1, ZC3HAV1 RB1 1821/4885EPHX2 1978/4885EPHX1 2683/4885

“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.