SCHEMBL4139400

SCHEMBL4139400

CCOc1cc(I)ccc1OC(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.39
PDE4B Q07343 5/20 0.36
PDE4A P27815 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
DRD4 P21917 1/20 0.36
FBP1 P09467 1/20 0.35
KCNA5 P22460 2/20 0.34
KCNH2 Q12809 2/20 0.34
KCNB1 Q14721 2/20 0.34

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
SCHEMBL2850840 0.84 SHMT2 (0.39) MEN1KMT2AMAPTMAPK1KDM4E
SCHEMBL31098670 0.83 PDE4A (0.38) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL266161 0.83 PDE4A (0.38) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL16956686 0.81 MAPT (0.46) RAB9AMEN1KMT2ALMNAMAPT
SCHEMBL3132506 0.79 TSHR (0.50) RAB9AMEN1KMT2ALMNAMAPT
SCHEMBL16956683 0.79 RAB9A (0.43) RAB9AMEN1KMT2ALMNAMAPT
SCHEMBL3317051 0.79 GAA (0.57) RAB9AMEN1KMT2ALMNAMAPT
SCHEMBL28651200 0.79 PDE4A (0.35) LMNAMAPK1TSHRPDE4BPDE4A
SCHEMBL31098551 0.78 PDE4A (0.50) MAPTMAPK1KDM4ETSHRPDE4B
SCHEMBL8123915 0.78 PDE4A (0.50) MAPTMAPK1KDM4ETSHRPDE4B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS TALAMAS FRANCISCO XAVIER 2009-05-07 US disclosed
EP-1888528-A2 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2008-02-20 EP disclosed
US-20070049611-A1 Phosphodiesterase 4 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US disclosed
WO-2006135828-A2 TRISUBSTITUTED AMINES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-12-21 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 (2 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-20070049611-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3B, PDE4B RAB9A 1290/4885MEN1 2795/4885KMT2A 2034/4885
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE4B RAB9A 1290/4885MEN1 2795/4885KMT2A 2034/4885

“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.