SCHEMBL4908332

SCHEMBL4908332

O=Cc1cc2c(c(OCc3ccccc3)c1)CCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
GRM5 P41594 4/20 0.49
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HPGD P15428 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAOA P21397 3/20 0.47
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL26092520 0.80 MAOB (0.50) MAOBSMN1; SMN2GRM5ALDH1A1NPC1
SCHEMBL30079624 0.80 MAOB (0.45) MAOBSMN1; SMN2GRM5ALDH1A1NPC1
SCHEMBL21893388 0.80 MAOB (0.45) MAOBSMN1; SMN2GRM5ALDH1A1NPC1
SCHEMBL4909799 0.79 MAOB (0.49) MAOBSMN1; SMN2GRM5ALDH1A1NPC1
SCHEMBL19809525 0.78 MAOB (0.56) MAOBSMN1; SMN2GRM5ALDH1A1NPC1
SCHEMBL23698998 0.76 RXRB (0.48) MAOBSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4908380 0.76 CRHBP (0.52) MAOBSMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL4908377 0.76 CRHBP (0.52) MAOBSMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL19667283 0.76 APP (0.42) SMN1; SMN2HPGDKMT2AKDM4EMEN1
SCHEMBL28645951 0.75 MAOB (0.43) MAOBSMN1; SMN2GRM5ALDH1A1NPC1

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 869/4885SMN1; SMN2 3598/4885GRM5 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.