SCHEMBL6700683

SCHEMBL6700683

COc1ccc(-c2ccc(Cl)cc2)c(COc2ccc(C#C[Si](C)(C)C)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 3/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
ALOX12 P18054 2/20 0.42
ALOX15 P16050 2/20 0.42
FFAR1 O14842 3/20 0.42
FFAR4 Q5NUL3 3/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PTGER4 P35408 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CNR1 P21554 1/20 0.38
CYP2C19 P33261 1/20 0.38
CNR2 P34972 1/20 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
SCHEMBL7840330 0.95 MAPT (0.42) MAPTL3MBTL1NPSR1MEN1KMT2A
SCHEMBL10293539 0.81 FFAR1 (0.59) MAPTL3MBTL1NPSR1MEN1KMT2A
SCHEMBL5516525 0.80 APP (0.51) MAPTL3MBTL1NPSR1MEN1KMT2A
SCHEMBL13165361 0.79 FFAR1 (0.46) MAPTL3MBTL1NPSR1MEN1KMT2A
SCHEMBL5519425 0.77 TACR2 (0.38) FFAR1FFAR4PTGER4CNR1PTGDR2
SCHEMBL791494 0.77 MEN1 (0.50) MAPTL3MBTL1NPSR1MEN1KMT2A
SCHEMBL7839255 0.76 NPSR1 (0.48) MAPTL3MBTL1NPSR1MEN1KMT2A
SCHEMBL27553691 0.74 FFAR1 (0.43) MAPTL3MBTL1NPSR1MEN1KMT2A
SCHEMBL5521150 0.72 MEN1 (0.51) MAPTNPSR1MEN1KMT2AALOX12
SCHEMBL5510993 0.72 MEN1 (0.48) MAPTNPSR1MEN1KMT2AALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097438-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2004-05-20 US disclosed
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor JAPAN TOBACCO INC. (JP) 2004-04-29 US disclosed
US-20030050320-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2003-03-13 US 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-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor HAVCR2, ZC3HAV1, POLR1C MAPT 3967/4885L3MBTL1 3799/4885NPSR1 3934/4885
US-20030050320-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C MAPT 3928/4885L3MBTL1 4672/4885NPSR1 3106/4885
US-20040097438-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, SLC10A1 MAPT 4439/4885L3MBTL1 4548/4885NPSR1 3077/4885

“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.