SCHEMBL5111441

SCHEMBL5111441

CCCc1cc(O)cc(CCC)c1OC(C)(C)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.51
PPARG P37231 4/20 0.51
ABCB11 O95342 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
HTR2A P28223 1/20 0.46
PMP22 Q01453 1/20 0.46
PTPN1 P18031 4/20 0.42
PTPN11 Q06124 3/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CNR2 P34972 2/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
FBP1 P09467 6/20 0.38

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
SCHEMBL4677745 0.81 PPARA (0.50) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL6698511 0.79 PPARA (0.46) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL3682822 0.76 PPARA (0.56) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL21188304 0.73 PPARA (0.51) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL5105195 0.73 PTPN1 (0.44) PPARAPPARGCYP1A2PTPN1PTPN11
SCHEMBL27350603 0.72 PPARA (0.56) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL3922298 0.71 PPARA (0.47) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL5102549 0.71 PPARA (0.49) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL1417528 0.71 PPARA (0.49) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL27349432 0.71 PPARA (0.49) PPARAPPARGABCB11CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146631-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS BROOKS DAWN ALISA 2008-06-19 US disclosed
US-7351728-B2 Oxazolyl-aryloxyacetic acid derivatives and their use as PPAR agonists ELI LILLY AND COMPANY (US) 2008-04-01 US disclosed
EP-1313715-B1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS LILLY CO ELI (US) 2007-08-01 EP disclosed
US-6982278-B2 Oxazolyl-aryloxyacetic acid derivatives and their use as ppar agonists ELI LILLY AND COMPANY (US) 2006-01-03 US disclosed
US-20050250825-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as PPAR agonists BROOKS DAWN A 2005-11-10 US disclosed
US-20040024034-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as ppar agonists BROOKS DAWN ALISA (US) 2004-02-05 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 (3 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-20050250825-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as PPAR agonists PPARA, PPARG, PPARD PPARA 1/4885PPARG 2/4885ABCB11 1104/4885
US-20040024034-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as ppar agonists PPARA, PPARG, PPARD PPARA 1/4885PPARG 2/4885ABCB11 1379/4885
US-20080146631-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS PPARA, PPARG, PPARD PPARA 1/4885PPARG 2/4885ABCB11 1312/4885

“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.