SCHEMBL4725119

SCHEMBL4725119

[c]1ccc(O[C@H]2CCOC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.39
AKT1 P31749 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
LRRK2 Q5S007 2/20 0.37
HRH3 Q9Y5N1 2/20 0.36
IDO1 P14902 1/20 0.35
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
GRM5 P41594 2/20 0.34
SLC5A1 P13866 3/20 0.34
SLC5A2 P31639 3/20 0.34
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 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
SCHEMBL7226975 1.00 ACACB (0.39) ACACBAKT1PIK3CAMTORLRRK2
SCHEMBL6531997 0.91 ACACB (0.38) ACACBAKT1PIK3CAMTORLRRK2
SCHEMBL20506959 0.89 ACACB (0.41) ACACBHRH3GRM5
SCHEMBL3452212 0.89 SYK (0.37) ACACBLRRK2HRH3
SCHEMBL17610615 0.85 ACACB (0.33) ACACBAKT1PIK3CAMTORLRRK2
SCHEMBL17316751 0.84 ACACB (0.34) ACACB
SCHEMBL29259937 0.82 LRRK2 (0.30) LRRK2
SCHEMBL6531748 0.81 PARP10 (0.35) ACACBHRH3PDE4APDE4BPDE4C
SCHEMBL24989710 0.81 HRH1 (0.50) ACACBLRRK2IDO1PDE4APDE4B
SCHEMBL14795044 0.81 HRH1 (0.50) ACACBLRRK2IDO1PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US claimed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO claimed
WO-2008012622-A2 AZABENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO claimed
CN-116253726-A Impurity compound of englitz, preparation method and application thereof 乐普药业股份有限公司 2023-06-13 CN disclosed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US disclosed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed
WO-2008012622-A2 AZABENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 ACACB 661/4885AKT1 3142/4885PIK3CA 1042/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 ACACB 567/4885AKT1 3471/4885PIK3CA 1055/4885

“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.