SCHEMBL5413825

SCHEMBL5413825

CON=C1CCc2cc(C=CC(=O)c3ccc(OC)cc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 2/20 0.56
TNFRSF1A P19438 3/20 0.55
CYP3A4 P08684 1/20 0.54
MAOB P27338 7/20 0.53
CXCL12 P48061 1/20 0.53
MAPT P10636 5/20 0.53
RAB9A P51151 2/20 0.53
MAOA P21397 3/20 0.52
XDH P47989 2/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
P4HB P07237 1/20 0.52
CALM1 P0DP23 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
MKNK2 Q9HBH9 1/20 0.52
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
CYP1B1 Q16678 2/20 0.51
CYP1A1 P04798 1/20 0.51

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
SCHEMBL5413823 1.00 F3 (0.56) F3TNFRSF1ACYP3A4MAOBCXCL12
SCHEMBL5405919 0.85 BCHE (0.56) CYP3A4MAOBMAPTABCG2LMNA
SCHEMBL5405915 0.85 BCHE (0.56) CYP3A4MAOBMAPTABCG2LMNA
SCHEMBL5414956 0.80 ABCG2 (0.38) CYP3A4MAOBMAPTMAOAMEN1
SCHEMBL5414954 0.80 ABCG2 (0.38) CYP3A4MAOBMAPTMAOAMEN1
SCHEMBL5414962 0.80 ABCG2 (0.38) CYP3A4MAOBMAPTMAOAMEN1
SCHEMBL5408887 0.79 GPR119 (0.45) MAPTALDH1A1LMNA
4,4'-Dimethoxychalcone SCHEMBL978243 0.75 F3 (1.00) F3TNFRSF1ACYP3A4MAOBMAPT
4,4'-Dimethoxychalcone SCHEMBL978242 0.75 F3 (1.00) F3TNFRSF1ACYP3A4MAOBMAPT
SCHEMBL24844 0.74 ALDH1A1 (0.39) MAOBMAPTRAB9AMEN1ALDH1A1

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-7297694-B2 Pyridylfurans and pyrroles as Raf kinase inhibitors SMITHKLINE BEECHUM P.L.C. (GB) 2007-11-20 US disclosed
US-20040254186-A1 Pyridylfurans and pyrroles as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-12-16 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-20040254186-A1 Pyridylfurans and pyrroles as raf kinase inhibitors BRAF, ARAF, RAF1 F3 865/4885TNFRSF1A 1144/4885CYP3A4 3513/4885

“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.