SCHEMBL5553531

SCHEMBL5553531

CCC(Cc1cc2c(c(CNC(=O)c3ccc(Cl)cc3F)c1)OCC2)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 19/20 0.49
▸ PPARD Q03181 17/20 0.49
▸ PPARG P37231 16/20 0.49
▸ EPHX2 P34913 1/20 0.43

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
SCHEMBL5549695 0.91 PPARA (0.46) PPARAPPARDPPARGEPHX2
SCHEMBL5553508 0.88 PPARA (0.64) PPARAPPARDPPARGEPHX2
SCHEMBL5554923 0.86 PPARG (0.37) PPARAPPARDPPARG
SCHEMBL5552702 0.81 PPARA (0.46) PPARAPPARDPPARG
SCHEMBL5552712 0.77 POLB (0.38) PPARA
SCHEMBL3417535 0.75 PPARA (0.45) PPARAPPARDPPARGEPHX2
SCHEMBL13460953 0.72 PTGES (0.38) PPARAPPARD
SCHEMBL5549032 0.71 PTGES (0.37) PPARAPPARDPPARGEPHX2
SCHEMBL5549716 0.69 ALDH1A1 (0.35) PPARAPPARDPPARG
SCHEMBL5552680 0.67 HRH3 (0.38) PPARAPPARDPPARGEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244861-B2 Benzene compound and salt thereof EISAI CO., LTD. (JP) 2007-07-17 — — US disclosed
US-7244861-B2 Benzene compound and salt thereof EISAI CO., LTD. (JP) 2007-07-17 — — US disclosed
US-7244861-B2 Benzene compound and salt thereof EISAI CO., LTD. (JP) 2007-07-17 — — US disclosed
US-20040138271-A1 Benzene compound and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-15 — — US disclosed
EP-1375472-A1 BENZENE COMPOUND AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-02 — — EP 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-20040138271-A1 Benzene compound and salt thereof INSR, SLC5A1, IRS1 PPARA 602/4885PPARD 558/4885PPARG 620/4885

“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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