SCHEMBL4861486

SCHEMBL4861486

CCOC(=O)C(C)(C)Oc1ccc(OCCn2c(CC)nc(-c3ccccc3)cc2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 0.44
▸ ABCB11 O95342 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ PPARG P37231 5/20 0.41
▸ FBP1 P09467 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ NTRK1 P04629 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ FAAH O00519 2/20 0.37

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
SCHEMBL4852513 0.91 PPARA (0.49) PPARAPPARGGSK3BNTRK1RXFP1
SCHEMBL4859287 0.91 PPARG (0.48) PPARAPPARG
SCHEMBL4850624 0.87 PPARA (0.41) PPARAGSK3BRXFP1PDE10AFAAH
SCHEMBL4851283 0.85 PPARA (0.42) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4860014 0.85 PPARA (0.44) PPARAPPARGGSK3BPDE10A
SCHEMBL7111667 0.84 PPARA (0.41) PPARAPPARGGSK3BPDE10A
SCHEMBL4856384 0.83 KAT2B (0.45) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4858080 0.81 GSK3B (0.38) GSK3BPDE10A
SCHEMBL4850899 0.81 TLR7 (0.41) PPARAPPARGGSK3B
SCHEMBL4859967 0.80 ELANE (0.38) PPARACYP1A2PPARGGSK3BRXFP1

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-7348334-B2 Monocyclic derivatives of aryl alkanoic acids and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-03-25 — — US claimed
US-20030013729-A1 New monocyclic derivatives of aryl alkanoic acids and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LTD. 2003-01-16 — — US claimed
WO-2002081454-A1 DERIVATIVES OF ARYL ACIDS, THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2002-10-17 — — WO claimed
US-7348334-B2 Monocyclic derivatives of aryl alkanoic acids and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-03-25 — — US disclosed
US-7348334-B2 Monocyclic derivatives of aryl alkanoic acids and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-03-25 — — US disclosed
US-7348334-B2 Monocyclic derivatives of aryl alkanoic acids and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-03-25 — — US disclosed
US-20030013729-A1 New monocyclic derivatives of aryl alkanoic acids and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LTD. 2003-01-16 — — US disclosed
WO-2002081454-A1 DERIVATIVES OF ARYL ACIDS, THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2002-10-17 — — 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 (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-20030013729-A1 New monocyclic derivatives of aryl alkanoic acids and their use in medicine: process for their preparation and pharmaceutical compositions containing them GPR119, FFAR1, FFAR3 PPARA 60/4885ABCB11 413/4885CYP1A2 101/4885

“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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