SCHEMBL5553542

SCHEMBL5553542

CCCOc1ccc(C(=O)NCc2cc(CC(OC(C)C)C(=O)O)cc3ccoc23)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.40
PPARA Q07869 14/20 0.40
PPARD Q03181 10/20 0.40
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5552689 0.88 PPARA (0.39) PPARGPPARAPPARDALDH1A1MAPT
SCHEMBL6504955 0.84 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL5552725 0.83 PPARA (0.39) PPARGPPARAPPARDALDH1A1TP53
SCHEMBL6502543 0.82 LMNA (0.38) PPARGPPARAPPARDALDH1A1TP53
SCHEMBL6502816 0.82 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL6507629 0.82 PPARA (0.49) PPARGPPARAPPARD
SCHEMBL5554935 0.82 ALDH1A1 (0.36) PPARGPPARAPPARDALDH1A1TP53
SCHEMBL5549716 0.81 ALDH1A1 (0.35) PPARGPPARAPPARDALDH1A1TP53
SCHEMBL5553497 0.81 PPARG (0.38) PPARGPPARAPPARDALDH1A1MAPT
SCHEMBL6495940 0.81 PPARG (0.38) PPARGPPARAPPARD

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 PPARG 620/4885PPARA 602/4885PPARD 558/4885

“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.