SCHEMBL756034

SCHEMBL756034

COCNC(=O)c1oc(C(C)COC)cc1Cc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CNR2 P34972 3/20 0.34
CNR1 P21554 2/20 0.34
GPR55 Q9Y2T6 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL756035 0.84 LMNA (0.35) TP53MAPTTHRBNPSR1POLB
SCHEMBL754069 0.83 MMP3 (0.41) MAPTNPSR1POLBSMN1; SMN2LMNA
SCHEMBL2484219 0.82 ALDH1A1 (0.39) TP53MAPTTHRBPOLBLMNA
SCHEMBL27756470 0.79 MAPK14 (0.36) TP53MAPTTHRBNPSR1POLB
SCHEMBL756036 0.78 MAPK14 (0.36) TP53MAPTTHRBNPSR1POLB
SCHEMBL753007 0.77 MAPK14 (0.35) THRBNPSR1POLBLMNAGAA
SCHEMBL752953 0.73 CCNT1 (0.35) SMN1; SMN2LMNAKMT2AMEN1CNR2
SCHEMBL755566 0.66 L3MBTL1 (0.38) TP53MAPTPOLBSMN1; SMN2LMNA
SCHEMBL6810475 0.66 EGLN1 (0.42) TP53MAPTTHRBNPSR1POLB
SCHEMBL2486131 0.65 KLKB1 (0.49) TP53MAPTTHRBNPSR1POLB

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 4 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-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 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 TP53 948/4885MAPT 4426/4885THRB 3798/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI TP53 948/4885MAPT 4426/4885THRB 3798/4885

“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.