SCHEMBL5508916

SCHEMBL5508916

COc1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4cc(C(=O)O)ccc4n3C3CCCCC3)c(F)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
NR1H4 Q96RI1 14/20 0.44
VDR P11473 6/20 0.44
PTGER4 P35408 1/20 0.42
CYP2C9 P11712 4/20 0.41
KCNH2 Q12809 2/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
THRB P10828 1/20 0.40
IDH1 O75874 2/20 0.40

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
SCHEMBL5509722 0.95 L3MBTL1 (0.48) L3MBTL1NR1H4VDRCYP2C9KCNH2
SCHEMBL5527065 0.94 L3MBTL1 (0.47) L3MBTL1NR1H4VDRCYP2C9KCNH2
SCHEMBL5517309 0.94 PTGER4 (0.41) L3MBTL1NR1H4VDRPTGER4THRB
SCHEMBL5512528 0.94 PTGER4 (0.42) L3MBTL1NR1H4VDRPTGER4IDH1
SCHEMBL14031737 0.93 L3MBTL1 (0.45) L3MBTL1NR1H4VDRCYP2C9KCNH2
SCHEMBL5527483 0.93 NR1H4 (0.51) L3MBTL1NR1H4VDRPTGER4CYP2C9
Hydrochloric Acid SCHEMBL5515092 0.92 L3MBTL1 (0.45) L3MBTL1NR1H4VDRCYP2C9KCNH2
Hydrochloric Acid SCHEMBL5515106 0.92 NR1H4 (0.50) L3MBTL1NR1H4VDRPTGER4CYP2C9
SCHEMBL5519097 0.92 PTGER4 (0.40) L3MBTL1NR1H4VDRPTGER4CYP2C9
SCHEMBL14031755 0.91 L3MBTL1 (0.45) L3MBTL1NR1H4VDRCYP2C9KCNH2

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-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor JAPAN TOBACCO INC. (JP) 2004-04-29 US claimed
EP-1400241-A1 FUSED CYCLIC COMPOUNDS AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-03-24 EP claimed
US-20070032497-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032497-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-7112600-B1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2006-09-26 US disclosed
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor JAPAN TOBACCO INC. (JP) 2004-04-29 US disclosed
EP-1400241-A1 FUSED CYCLIC COMPOUNDS AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-03-24 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-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor HAVCR2, ZC3HAV1, POLR1C L3MBTL1 3799/4885NR1H4 484/4885VDR 3852/4885
US-20070032497-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C L3MBTL1 4730/4885NR1H4 51/4885VDR 4125/4885

“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.