SCHEMBL755346

SCHEMBL755346

CC(=O)OC(C)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 1/20 0.47
MAOB P27338 1/20 0.44
MAPT P10636 1/20 0.43
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL12246308 1.00 ALDH1A1 (0.56) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL2380920 1.00 ALDH1A1 (0.56) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL5568281 0.86 SLC1A3 (0.51) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL28648553 0.85 ALDH1A1 (0.49) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL28004209 0.84 SLC1A3 (0.46) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL632240 0.83 ALDH1A1 (0.46) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL27777630 0.83 KMT2A (0.56) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL19929351 0.83 ALDH1A1 (0.46) ALDH1A1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL8394453 0.81 SLC1A3 (0.44) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
Methacrylic Acid SCHEMBL28158162 0.81 ALDH1A1 (0.44) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A

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
CN-112334462-A OGA inhibitor compounds 詹森药业有限公司 2021-02-05 CN disclosed
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 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 (3 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT ALDH1A1 658/4885SLC1A3 3789/4885SLC1A2 4163/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885SLC1A3 3862/4885SLC1A2 4162/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885SLC1A3 3862/4885SLC1A2 4162/4885

“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.