SCHEMBL20953597

SCHEMBL20953597

CCC(=O)c1cc(C(=O)C(C)(C)C)cc(C(=O)C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 0.42
▸ PPARG P37231 3/20 0.42
▸ MAPT P10636 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ BAZ2B Q9UIF8 1/20 0.37
▸ BAZ2A Q9UIF9 1/20 0.37
▸ HMGCR P04035 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ TSHR P16473 1/20 0.33

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
SCHEMBL24242591 1.00 PPARA (0.42) PPARAPPARGMAPTSMN1; SMN2L3MBTL1
SCHEMBL24239865 0.86 PPARG (0.38) PPARAPPARGMAPTSMN1; SMN2L3MBTL1
SCHEMBL12518234 0.84 ACHE (0.45) MAPTSMN1; SMN2L3MBTL1ATMCYP3A4
SCHEMBL11382828 0.83 MAPT (0.50) PPARAPPARGMAPTSMN1; SMN2L3MBTL1
SCHEMBL8721308 0.83 PPARG (0.36) PPARAPPARGL3MBTL1
SCHEMBL5972998 0.83 MAPT (0.53) MAPTSMN1; SMN2L3MBTL1ATMMEN1
SCHEMBL13849363 0.78 PPARG (0.36) PPARAPPARG
SCHEMBL18632252 0.75 MAPT (0.43) PPARAPPARGMAPTSMN1; SMN2L3MBTL1
SCHEMBL8418226 0.75 MEN1 (0.58) PPARAPPARGMAPTSMN1; SMN2L3MBTL1
SCHEMBL16479155 0.75 CA5A (0.48) PPARAPPARGMAPTSMN1; SMN2L3MBTL1

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-10272079-B2 NHE3-binding compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2019-04-30 — — 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-10272079-B2 NHE3-binding compounds and methods for inhibiting phosphate transport SLC34A3, SLC34A2, SLC34A1 PPARA 4068/4885PPARG 4160/4885MAPT 4323/4885

“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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