SCHEMBL5553545

SCHEMBL5553545

C#Cc1cc(CC(OC(C)C)C(=O)OCC)cc(CNC(=O)OC(C)(C)C)c1O

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.32
KCNA5 P22460 1/20 0.32
SERPINE1 P05121 1/20 0.32
MAPT P10636 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
XBP1 P17861 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
RECQL P46063 1/20 0.32
PPARG P37231 3/20 0.31
EPHX2 P34913 1/20 0.31
SCN9A Q15858 1/20 0.30
KCNQ4 P56696 2/20 0.30
KCNQ5 Q9NR82 2/20 0.30
SYK P43405 1/20 0.30
KDM4A O75164 1/20 0.30

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
SCHEMBL14454398 0.90 KCNA5 (0.32) KCNA5SERPINE1MAPTNPSR1TDP1
SCHEMBL5549065 0.86 AAK1 (0.34) KCNA5SERPINE1MAPTNPSR1TDP1
SCHEMBL5553488 0.86 KCNA5 (0.33) KCNA5SERPINE1MAPTNPSR1TDP1
SCHEMBL5549709 0.82 NSD2 (0.34) KCNA5MAPTNPSR1TDP1XBP1
SCHEMBL5549723 0.82 HDAC1 (0.39) KCNA5MAPTNPSR1TDP1XBP1
SCHEMBL5549041 0.79 ALDH1A1 (0.36) TRPV1KCNA5MAPTNPSR1TDP1
SCHEMBL5549029 0.79 PPARD (0.33) TRPV1KCNA5MAPTNPSR1TDP1
SCHEMBL5552685 0.79 PPARD (0.44) TRPV1KCNA5MAPTNPSR1TDP1
SCHEMBL6503438 0.78 PPARG (0.44) MAPTNPSR1TDP1XBP1GPR55
SCHEMBL6496923 0.78 PPARA (0.45) PPARG

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 4 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-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 TRPV1 886/4885KCNA5 244/4885SERPINE1 1217/4885

“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.