SCHEMBL754611

SCHEMBL754611

CCOC(=O)C(OCc1ccccc1)C(=O)c1ccc(Oc2ccc(F)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.47
PPARG P37231 5/20 0.47
PPARD Q03181 4/20 0.47
P4HTM Q9NXG6 1/20 0.44
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MMP13 P45452 2/20 0.41
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
MAOB P27338 2/20 0.38

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
SCHEMBL755609 0.87 LMNA (0.41) PPARAPPARGPPARDP4HTMLMNA
SCHEMBL16925408 0.73 LMNA (0.38) PPARAPPARGPPARDLMNAL3MBTL1
SCHEMBL8329550 0.73 L3MBTL1 (0.54) PPARAPPARGPPARDLMNAL3MBTL1
SCHEMBL16921619 0.72 LMNA (0.41) PPARAPPARGPPARDP4HTMLMNA
SCHEMBL755105 0.71 NPSR1 (0.52) LMNAL3MBTL1ALDH1A1
SCHEMBL8329553 0.70 L3MBTL1 (0.51) PPARAPPARGPPARDLMNAL3MBTL1
SCHEMBL7005190 0.70 LMNA (0.41) PPARAPPARGPPARDLMNAL3MBTL1
SCHEMBL13195088 0.69 ALDH1A1 (0.51) PPARAPPARGPPARDLMNAL3MBTL1
SCHEMBL226698 0.69 P4HTM (0.69) PPARGP4HTMLMNAL3MBTL1MMP13
SCHEMBL753336 0.69 P4HTM (0.53) P4HTML3MBTL1ALDH1A1

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 9 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
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP 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 (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 PPARA 3218/4885PPARG 4065/4885PPARD 3111/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PPARA 2940/4885PPARG 3165/4885PPARD 3267/4885

“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.