SCHEMBL4334909

SCHEMBL4334909

CCOc1ccc(C=O)cc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.47
TACR2 P21452 1/20 0.45
HPGD P15428 3/20 0.41
CYP1A2 P05177 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DHFR P00374 1/20 0.40
KDM4E B2RXH2 3/20 0.39
BACE1 P56817 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
FDPS P14324 1/20 0.38
LMNA P02545 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
SCHEMBL4329906 0.87 ALDH1A1 (0.45) ALDH1A1TACR2HPGDMEN1POLB
SCHEMBL5529810 0.86 ALDH1A1 (0.40) ALDH1A1HPGDCYP1A2MEN1POLB
SCHEMBL4334247 0.86 ALDH1A1 (0.52) ALDH1A1HPGDCYP1A2MEN1POLB
SCHEMBL26978677 0.83 ALDH1A1 (0.41) ALDH1A1HPGDCYP1A2MEN1POLB
SCHEMBL29377659 0.83 ALDH1A1 (0.41) ALDH1A1HPGDCYP1A2MEN1POLB
SCHEMBL18149901 0.82 ALDH1A1 (0.40) ALDH1A1HPGDCYP1A2MEN1POLB
SCHEMBL18561010 0.81 BACE1 (0.42) ALDH1A1HPGDCYP1A2MEN1POLB
SCHEMBL29819184 0.81 BACE1 (0.42) ALDH1A1HPGDCYP1A2MEN1POLB
SCHEMBL1620788 0.80 ALDH1A1 (0.54) ALDH1A1TACR2HPGDPOLBMAPT
SCHEMBL4339126 0.80 ALDH1A1 (0.41) ALDH1A1TACR2HPGDCYP1A2MEN1

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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-20050014833-A1 Cyclic compound and ppar agonist EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452521-A1 CYCLIC COMPOUND AND PPAR AGONIST Eisai Co., Ltd. (JP) 2004-09-01 EP disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 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 (2 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-20050014833-A1 Cyclic compound and ppar agonist PPARA, PPARG, PPARD ALDH1A1 1662/4885TACR2 331/4885HPGD 985/4885
US-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 ALDH1A1 844/4885TACR2 1137/4885HPGD 2910/4885

“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.