SCHEMBL14548336

SCHEMBL14548336

CC(C)(C=O)Oc1ccc(CCCn2ccc3cc(OS(C)(=O)=O)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.38
▸ BCL2 P10415 3/20 0.38
▸ PLA2G4A P47712 5/20 0.38
▸ SMPD1 P17405 1/20 0.36
▸ PPARG P37231 5/20 0.35
▸ PPARA Q07869 4/20 0.35
▸ PPARD Q03181 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 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
SCHEMBL14548504 0.97 PLA2G4A (0.39) MCL1BCL2PLA2G4ASMPD1PPARG
SCHEMBL14548501 0.91 BCL2 (0.42) MCL1BCL2PPARGPPARAPPARD
SCHEMBL14548338 0.89 BCL2 (0.39) MCL1BCL2PLA2G4APPARGPPARA
SCHEMBL14548301 0.89 BCL2 (0.39) MCL1BCL2PLA2G4APPARGPPARA
SCHEMBL14548303 0.89 MCL1 (0.47) MCL1BCL2PPARGPPARAPPARD
SCHEMBL5660741 0.85 PPARG (0.49) MCL1BCL2PPARGPPARAPPARD
SCHEMBL14526736 0.83 RORC (0.41) MCL1BCL2PLA2G4ASMPD1PPARG
SCHEMBL5661074 0.83 PPARG (0.44) MCL1BCL2PLA2G4APPARGPPARA
SCHEMBL5658238 0.83 PPARG (0.44) MCL1BCL2PLA2G4APPARGPPARA
SCHEMBL5659751 0.82 PPARG (0.49) PLA2G4APPARGPPARAPPARD

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-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-26 — — 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-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them GPR119, NR1H3, NR1H2 MCL1 1367/4885BCL2 1802/4885PLA2G4A 2359/4885

“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.

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