SCHEMBL4909799

SCHEMBL4909799

OCc1cc2c(c(OCc3ccccc3)c1)CCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.49
MAOA P21397 4/20 0.49
GRM5 P41594 2/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
CFD P00746 1/20 0.38
F11 P03951 1/20 0.38
KLKB1 P03952 1/20 0.38
LIPE Q05469 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37

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
SCHEMBL26092520 0.82 MAOB (0.50) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL6044447 0.82 MAOB (0.50) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL4908332 0.79 MAOB (0.49) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL19809528 0.78 MAOB (0.56) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL24749536 0.78 REN (0.33)
SCHEMBL29938439 0.78 REN (0.33)
SCHEMBL22882698 0.77 MAOB (0.57) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL4909097 0.76 HSD17B10 (0.45) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL2810313 0.76 REN (0.43) HTR1A
SCHEMBL10367260 0.75 MAOB (0.45) MAOBMAOAGRM5NPC1ALDH1A1

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
EP-1984377-A2 INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH Signal Pharmaceuticals LLC (US) 2008-10-29 EP disclosed
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 US disclosed
WO-2007084560-A2 INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-26 WO 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-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith PDE4A, PDE4B, BRAF MAOB 869/4885MAOA 917/4885GRM5 4250/4885

“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.