SCHEMBL4334247

SCHEMBL4334247

COc1ccc(C=O)cc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.52
CYP1A2 P05177 2/20 0.52
POLB P06746 2/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TSHR P16473 1/20 0.49
LMNA P02545 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
FDPS P14324 1/20 0.47
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
AOX1 Q06278 1/20 0.45
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5529810 0.89 ALDH1A1 (0.40) ALDH1A1CYP1A2POLBHPGDMEN1
SCHEMBL4328070 0.86 FDPS (0.48) ALDH1A1CYP1A2POLBHPGDMEN1
SCHEMBL4334909 0.86 ALDH1A1 (0.47) ALDH1A1CYP1A2POLBHPGDMEN1
SCHEMBL26978677 0.85 ALDH1A1 (0.41) ALDH1A1CYP1A2POLBHPGDMEN1
SCHEMBL29377659 0.85 ALDH1A1 (0.41) ALDH1A1CYP1A2POLBHPGDMEN1
SCHEMBL18149901 0.84 ALDH1A1 (0.40) ALDH1A1CYP1A2POLBHPGDMEN1
SCHEMBL29819184 0.83 BACE1 (0.42) ALDH1A1CYP1A2POLBHPGDMEN1
SCHEMBL18561010 0.83 BACE1 (0.42) ALDH1A1CYP1A2POLBHPGDMEN1
SCHEMBL30128155 0.82 ALDH1A1 (0.41) ALDH1A1CYP1A2POLBHPGDMEN1
SCHEMBL4339126 0.82 ALDH1A1 (0.41) ALDH1A1CYP1A2POLBHPGDMEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3137470-B1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS NOVARTIS AG (CH) 2021-04-07 EP disclosed
EP-3137470-B1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS NOVARTIS AG (CH) 2021-04-07 EP disclosed
US-9902730-B2 Compounds and compositions as toll-like receptor 7 agonists NOVARTIS AG (CH) 2018-02-27 US disclosed
US-9902730-B2 Compounds and compositions as toll-like receptor 7 agonists NOVARTIS AG (CH) 2018-02-27 US disclosed
EP-3137470-A1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS Novartis AG (CH) 2017-03-08 EP disclosed
US-20170057968-A1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS NOVARTIS AG (CH) 2017-03-02 US disclosed
WO-2015168269-A1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS NOVARTIS AG (CH) 2015-11-05 WO disclosed
WO-2015168269-A1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS NOVARTIS AG (CH) 2015-11-05 WO disclosed
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-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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 ALDH1A1 844/4885CYP1A2 1508/4885POLB 3622/4885
US-20170057968-A1 COMPOUNDS AND COMPOSITIONS AS TOLL-LIKE RECEPTOR 7 AGONISTS TLR7, TLR3, TLR1 ALDH1A1 4263/4885CYP1A2 4520/4885POLB 3022/4885

“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.