SCHEMBL2486904

SCHEMBL2486904

COC(=O)C(O)=CC(=O)c1ccc(Cc2ccccc2OC(C)C)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
FFAR4 Q5NUL3 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.36
ACHE P22303 1/20 0.36
SLC9A1 P19634 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2D6 P10635 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL16925397 0.89 ALDH1A1 (0.42) HTTKDM4ELMNAALDH1A1MAPT
SCHEMBL2488049 0.88 HTT (0.36) HTTFFAR4POLBCYP2C9CYP2C19
SCHEMBL16921570 0.83 LMNA (0.44) HTTLMNAALDH1A1MAPTTP53
SCHEMBL2484069 0.81 HTT (0.48) HTTKDM4ELMNAALDH1A1MAPT
SCHEMBL2490056 0.81 ALDH1A1 (0.39) HTTFFAR4KDM4ELMNAALDH1A1
SCHEMBL2487742 0.81 HDAC1 (0.40) HTTKDM4ELMNATDP1ALDH1A1
SCHEMBL754516 0.79 FFAR4 (0.42) HTTFFAR4KDM4ELMNATDP1
SCHEMBL2488101 0.79 HTT (0.39) HTTFFAR4KDM4EALDH1A1MAPT
SCHEMBL2484464 0.77 HTT (0.37) HTTLMNAALDH1A1MAPTCYP2C9
SCHEMBL756171 0.77 HTT (0.46) HTTKDM4ELMNAALDH1A1MAPT

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-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
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US 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
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 HTT 4561/4885FFAR4 4550/4885KDM4E 336/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HTT 4541/4885FFAR4 4452/4885KDM4E 382/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HTT 4541/4885FFAR4 4452/4885KDM4E 382/4885

“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.