SCHEMBL5554858

SCHEMBL5554858

COc1cc(CC(OC(C)C)C(=O)O)cc(CNC(=O)c2ccc(Cl)cc2Cl)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.42
PPARD Q03181 2/20 0.40
PPARG P37231 1/20 0.40
APEX1 P27695 2/20 0.40
RECQL P46063 2/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 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
SCHEMBL5553514 0.91 PPARA (0.46) PPARAPPARDPPARGRECQLLMNA
SCHEMBL5553481 0.90 PPARA (0.48) PPARAPPARDPPARGAPEX1RECQL
SCHEMBL5549733 0.90 APEX1 (0.39) PPARAPPARDPPARGAPEX1RECQL
SCHEMBL6060870 0.89 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6060873 0.89 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL5553504 0.88 CTSL (0.40) PPARAPPARDPPARGAPEX1RECQL
SCHEMBL5552725 0.87 PPARA (0.39) PPARAPPARDPPARG
SCHEMBL5554903 0.85 PPARA (0.43) PPARAPPARDPPARGRECQLPOLB
SCHEMBL5549050 0.84 PPARA (0.42) PPARAAPEX1RECQLPOLBTHRB
SCHEMBL6496475 0.84 PPARA (0.46) PPARAPPARDPPARGLMNAFLT1

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 7 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-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 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
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 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.