SCHEMBL806020

SCHEMBL806020

CCC(C(=O)O)C(=O)Nc1ccc(OC(C)(C)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 9/20 0.50
▸ PPARG P37231 6/20 0.50
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.46
▸ PPARD Q03181 2/20 0.44
▸ FABP2 P12104 1/20 0.43
▸ SLC22A12 Q96S37 1/20 0.43
▸ TBXAS1 P24557 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ADRB3 P13945 3/20 0.42

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
SCHEMBL16743655 0.80 PPARA (0.55) PPARAPPARGKMT2AMEN1MAPT
SCHEMBL805971 0.79 PPARA (0.61) PPARAPPARGKMT2AMEN1MAPT
SCHEMBL16303954 0.79 PPARA (0.61) PPARAPPARGKMT2AMEN1MAPT
SCHEMBL806021 0.77 KMT2A (0.59) PPARAPPARGKMT2AMEN1MAPT
SCHEMBL804721 0.76 PPARA (0.57) PPARAPPARGKMT2AMEN1MAPT
SCHEMBL1305353 0.76 PPARA (0.57) PPARAPPARGKMT2AMEN1MAPT
SCHEMBL8543938 0.76 KMT2A (0.54) KMT2AMEN1MAPTCYP1A2CYP3A4
SCHEMBL5550287 0.75 MEN1 (0.67) KMT2AMEN1MAPTALDH1A1MAPK1
SCHEMBL1304683 0.75 PPARA (0.61) PPARAPPARGKMT2AMEN1MAPT
SCHEMBL16743451 0.75 PPARA (0.56) PPARAPPARGKMT2AMEN1MAPT

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-20120071502-A1 Novel phenoxyisobutyric acid compounds and methods for synthesis Cell Viable Corporation (US) 2012-03-22 — — 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-20120071502-A1 Novel phenoxyisobutyric acid compounds and methods for synthesis AGER, BPGM, PDXK PPARA 329/4885PPARG 224/4885KMT2A 2270/4885

“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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