SCHEMBL5552680

SCHEMBL5552680

CC(C)OC(Cc1cc2c(c(CNC(=O)c3ccc(OC4CCCC4)cc3Cl)c1)OCC2)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.38
▸ S1PR3 Q99500 3/20 0.35
▸ PPARG P37231 2/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ PTGES O14684 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ CTSD P07339 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ SLC5A2 P31639 1/20 0.33
▸ WDR5 P61964 1/20 0.32

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
SCHEMBL5549032 0.91 PTGES (0.37) PPARGPPARAPTGESEPHX2DRD2
SCHEMBL5552712 0.88 POLB (0.38) PPARAPTGES
SCHEMBL5549716 0.87 ALDH1A1 (0.35) PPARGPPARAPTGESPPARD
SCHEMBL6503457 0.84 PDE4A (0.42) HRH3S1PR3PPARGPPARAEPHX2
SCHEMBL6506584 0.82 PPARA (0.46) PPARGPPARAPDE4APDE4BPDE4C
SCHEMBL6503062 0.82 PDE4A (0.40) HRH3S1PR3PPARGPPARAEPHX2
SCHEMBL5554923 0.81 PPARG (0.37) PPARGPPARAPTGESPPARD
SCHEMBL6496320 0.80 PDE4A (0.42) PPARGPPARAEPHX2PDE4APDE4B
SCHEMBL6505315 0.80 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL6505538 0.79 S1PR3 (0.38) HRH3S1PR3PPARGPPARAEPHX2

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 HRH3 676/4885S1PR3 808/4885PPARG 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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