SCHEMBL6487794

SCHEMBL6487794

CCCCCOc1ccc(CNc2cccc(OCCCC(=O)OCC)c2NC(C)=O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.42
PDK2 Q15119 2/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
PTPN1 P18031 1/20 0.37
BRD4 O60885 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MTNR1A P48039 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR2 P34972 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
PLA2G2A P14555 1/20 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
SCHEMBL6488996 0.97 EPHX2 (0.41) EPHX2PDK2PTPN1THRATHRB
SCHEMBL6497406 0.81 BRD4 (0.41) PDK2BRD4L3MBTL1TDP1PDE3B
SCHEMBL6489796 0.78 MAPT (0.42) EPHX2PDK2BRD4L3MBTL1TDP1
SCHEMBL6499126 0.76 DRD2 (0.39) THRATHRBMTNR1A
SCHEMBL6502076 0.75 CYSLTR2 (0.45) EPHX2CYSLTR2CYSLTR1BRD4THRA
SCHEMBL6490815 0.75 CYSLTR2 (0.41) EPHX2CYSLTR2CYSLTR1BRD4PDE3B
SCHEMBL6496310 0.74 THRB (0.41) THRATHRBL3MBTL1MTNR1A
SCHEMBL6489966 0.73 BRD4 (0.37) PDK2CYSLTR2CYSLTR1BRD4L3MBTL1
SCHEMBL6492219 0.73 DRD2 (0.36) THRATHRBMTNR1A
SCHEMBL6492358 0.73 CYSLTR2 (0.43) EPHX2CYSLTR2CYSLTR1THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US 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-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD EPHX2 3833/4885PDK2 128/4885CYSLTR2 2679/4885

“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.