SCHEMBL2484464

SCHEMBL2484464

COC(=O)C(O)=CC(=O)c1ccc(Cc2ccccc2C2OCCO2)o1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.37
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GNRHR P30968 1/20 0.33
ALDH1A1 P00352 6/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 2/20 0.32
ALOX12 P18054 1/20 0.32
MEN1 O00255 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PTGER1 P34995 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL6811411 0.86 HTT (0.34) HTTLMNATSHRSMN1; SMN2GNRHR
SCHEMBL765511 0.86 HTT (0.34) HTTLMNATSHRSMN1; SMN2GNRHR
SCHEMBL16921570 0.82 LMNA (0.44) HTTLMNAMAPTTSHRMAPK1
SCHEMBL16925397 0.81 ALDH1A1 (0.42) HTTLMNAMAPTTSHRRAB9A
SCHEMBL2484069 0.80 HTT (0.48) HTTLMNAMAPTTSHRMAPK1
SCHEMBL2487742 0.79 HDAC1 (0.40) HTTLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL753227 0.79 HTT (0.37) HTTLMNAMAPTTSHRMAPK1
SCHEMBL2486904 0.77 HTT (0.39) HTTLMNAMAPTTSHRRAB9A
SCHEMBL756171 0.73 HTT (0.46) HTTLMNAMAPTTSHRALDH1A1
SCHEMBL756172 0.73 HTT (0.46) HTTLMNAMAPTTSHRALDH1A1

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-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-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 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 (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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT HTT 4561/4885LMNA 2825/4885MAPT 4635/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HTT 4541/4885LMNA 2945/4885MAPT 4426/4885

“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.