SCHEMBL754516

SCHEMBL754516

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ACHE P22303 1/20 0.41
HTT P42858 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
SLC9A1 P19634 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PTGER1 P34995 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37

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
SCHEMBL756455 0.85 PTGER1 (0.39) ALDH1A1HTTPTGER1TSHRNPSR1
SCHEMBL765052 0.85 KMT2A (0.48) ALDH1A1HTTLMNAMAPTL3MBTL1
SCHEMBL2486904 0.79 HTT (0.39) FFAR4ALDH1A1ACHEHTTSLC9A1
SCHEMBL16921569 0.77 TYMP (0.46) ALDH1A1HTTLMNATP53MAPT
SCHEMBL755594 0.76 P2RX3 (0.44) FFAR4ALDH1A1HTTKDM4ELMNA
SCHEMBL752149 0.75 USP2 (0.34) FFAR4ALDH1A1ACHEHTTSLC9A1
SCHEMBL10546786 0.75 ALDH1A1 (0.43) FFAR4ALDH1A1HTTIRAK4SLC9A1
SCHEMBL751294 0.73 HDAC1 (0.46) ALDH1A1KDM4ETDP1MAPTSMN1; SMN2
SCHEMBL756355 0.73 LMNA (0.56) ALDH1A1HTTLMNATDP1TP53
SCHEMBL27861559 0.72 KMT2A (0.47) ALDH1A1HTTLMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI FFAR4 4452/4885ALDH1A1 424/4885ACHE 1249/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI FFAR4 4452/4885ALDH1A1 424/4885ACHE 1249/4885

“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.