SCHEMBL5553479

SCHEMBL5553479

COc1cc(C=O)cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
MAPT P10636 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39

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
SCHEMBL5549739 0.82 TACR1 (0.35) ALDH1A1KDM4ECYP3A4CYP2C9TUBB4A
SCHEMBL1587497 0.76 SMYD2 (0.34) ALDH1A1MAPTTDP1KDM4EPOLB
SCHEMBL27610986 0.76 IDO1 (0.51) ALDH1A1MAPTTDP1L3MBTL1CYP1A2
SCHEMBL5675405 0.75 CYP1A2 (0.38) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C9
SCHEMBL5549025 0.74 TACR1 (0.35) MAPTHTTSMN1; SMN2NPSR1KMT2A
SCHEMBL1620818 0.74 ALDH1A1 (0.44) ALDH1A1MAPTTDP1KDM4EL3MBTL1
SCHEMBL875044 0.73 BACE1 (0.39) ALDH1A1TDP1CYP3A4HTTSMN1; SMN2
SCHEMBL304400 0.73 PPARG (0.39) ALDH1A1MAPTTDP1KDM4ECYP3A4
SCHEMBL8018718 0.73 MAOA (0.47) ALDH1A1TDP1KDM4ENPC1RAB9A
SCHEMBL4423511 0.73 ALDH1A1 (0.55) ALDH1A1MAPTTDP1KDM4ECYP1A2

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 6 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-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 ALDH1A1 1736/4885MAPT 4358/4885TDP1 4608/4885

“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.