SCHEMBL6496808

SCHEMBL6496808

CCOC(=O)CCCOc1cc(C)c2nc(C)n(Cc3ccc(C(F)(F)F)cc3F)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
BRD4 O60885 1/20 0.38
MGLL Q99685 1/20 0.37
CYSLTR2 Q9NS75 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
PDK2 Q15119 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
ALOX5AP P20292 2/20 0.36
PLA2G2A P14555 2/20 0.36
FFAR1 O14842 1/20 0.35
FAAH O00519 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL6491177 0.91 PPARD (0.40) PPARGPPARDPPARAMGLLALOX5AP
SCHEMBL6499705 0.85 PDK2 (0.40) BRD4CYSLTR2CYSLTR1PDK2PDE3B
SCHEMBL6496755 0.83 PDE3B (0.44) BRD4CYSLTR2CYSLTR1PDK2PDE3B
SCHEMBL6489549 0.82 MRGPRX4 (0.44) ALOX5APFFAR1HDAC3HDAC4HDAC1
SCHEMBL6489517 0.81 PDE3B (0.43) BRD4CYSLTR2CYSLTR1PDK2PDE3B
SCHEMBL6502915 0.81 SMN1; SMN2 (0.44) PPARGBRD4CYSLTR2CYSLTR1PDE3B
SCHEMBL6486770 0.81 MCL1 (0.40) BRD4CYSLTR2CYSLTR1PDE3BPDE3A
SCHEMBL6489283 0.81 PPARD (0.47) PPARGPPARDPPARAFFAR1
SCHEMBL6489825 0.81 L3MBTL1 (0.43) PLA2G2AMCL1
SCHEMBL6488241 0.80 MCL1 (0.43) BRD4CYSLTR2CYSLTR1PDK2PDE3B

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 PPARG 233/4885PPARD 290/4885PPARA 665/4885

“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.