Phenol

Phenol

SCHEMBL1308949

CN1CCN(c2ccccc2O)CC1.Oc1ccccc1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.53
GAA P10253 6/20 0.53
HTT P42858 1/20 0.53
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
DRD4 P21917 2/20 0.48
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
GFER P55789 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.46
DRD1 P21728 1/20 0.45
HTR2A P28223 1/20 0.45
NCF1 P14598 1/20 0.44

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
SCHEMBL1308333 0.93 ADRA2C (0.60) ADRA2CGAAHTTDRD2DRD3
SCHEMBL4019882 0.82 GAA (0.70) GAAHTTSMN1; SMN2DRD4MAPK1
SCHEMBL11120307 0.82 GAA (0.70) GAAHTTSMN1; SMN2DRD4MAPK1
SCHEMBL5470285 0.81 GAA (0.60) ADRA2CGAAHTTSMN1; SMN2L3MBTL1
SCHEMBL1865040 0.76 DRD2 (0.51) ADRA2CGAAHTTDRD2DRD3
SCHEMBL7220230 0.76 L3MBTL1 (0.55) ADRA2CGAAHTTDRD2DRD3
SCHEMBL24309751 0.75 DRD2 (0.50) ADRA2CGAAHTTDRD2DRD3
SCHEMBL24309229 0.75 DRD2 (0.69) ADRA2CDRD2DRD3DRD4POLB
SCHEMBL3043141 0.74 GAA (0.60) GAAHTTSMN1; SMN2L3MBTL1DRD4
SCHEMBL1010647 0.74 GAA (0.60) GAAHTTSMN1; SMN2L3MBTL1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940792-B1 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES AS INHIBITORS OF PIM-1 AND/OR PIM-3 EXELIXIS INC (US) 2014-06-04 EP disclosed
US-8053454-B2 Pyridopyrimidinone inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2011-11-08 US disclosed
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US disclosed
EP-1940792-A2 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES INHIBITORS OF PIM-1 AND/OR PIM-3 Exelixis, Inc. (US) 2008-07-09 EP disclosed
WO-2007044724-A2 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES INHIBITORS OF PIM-I AND/OR PIM-3 EXELIXIS, INC. (US) 2007-04-19 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-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 PIM1, PIM3, PIM2 ADRA2C 2899/4885GAA 2209/4885HTT 3649/4885

“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.