SCHEMBL2104436

SCHEMBL2104436

CCOC(=O)c1cc2cc(C)cc(C=O)c2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.41
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
AKR1B1 P15121 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 3/20 0.38
KDM4E B2RXH2 4/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL19188207 0.86 PIM1 (0.43) ERN1HDAC4HDAC6AKR1B1MAOB
SCHEMBL26244631 0.82 L3MBTL1 (0.48) ERN1HDAC4HDAC6AKR1B1L3MBTL1
SCHEMBL26244633 0.81 MAOB (0.47) ERN1HDAC4HDAC6AKR1B1L3MBTL1
SCHEMBL26244629 0.80 MAOB (0.52) HDAC4HDAC6AKR1B1L3MBTL1MAOB
SCHEMBL26244635 0.79 MAPT (0.49) HDAC4HDAC6AKR1B1L3MBTL1MAOB
SCHEMBL26244513 0.74 AKR1B1 (0.42) HDAC4HDAC6AKR1B1L3MBTL1MAOB
SCHEMBL27252712 0.73 ERN1 (0.47) ERN1HDAC4HDAC6AKR1B1L3MBTL1
SCHEMBL27297405 0.73 ERN1 (0.47) ERN1HDAC4HDAC6AKR1B1L3MBTL1
SCHEMBL16046551 0.72 GPR35 (0.45) HDAC4HDAC6AKR1B1MAOBKDM4E
SCHEMBL16693166 0.72 GPR35 (0.45) HDAC4HDAC6AKR1B1MAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158668-B2 Methods for treating CNS disorders with 4-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-17 US disclosed
US-8158668-B2 Methods for treating CNS disorders with 4-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-17 US disclosed
US-8158668-B2 Methods for treating CNS disorders with 4-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-17 US disclosed
EP-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 EP disclosed
EP-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 EP disclosed
EP-1981880-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
WO-2007085556-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
WO-2007085556-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 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-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives CRY1, GPR119, MTNR1A ERN1 3701/4885HDAC4 136/4885HDAC6 280/4885

“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.