SCHEMBL4886895

SCHEMBL4886895

CC(C)CCOc1c[c]ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
TLR8 Q9NR97 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ESR1 P03372 1/20 0.35
MAPK1 P28482 2/20 0.35
IDO1 P14902 1/20 0.35
EPHX2 P34913 1/20 0.33
XDH P47989 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL4890755 0.86 L3MBTL1 (0.33) TDP1NPSR1MAPK1L3MBTL1MAPT
SCHEMBL676300 0.84 TDP1 (0.42) MCHR1HTTTDP1TLR8NPSR1
SCHEMBL4888071 0.83 ALDH1A1 (0.39) HTTTDP1TLR8XDHL3MBTL1
SCHEMBL4885840 0.82 HPGD (0.38) TDP1NPSR1MAPK1L3MBTL1MAPT
SCHEMBL4885849 0.81 CSNK2A1 (0.44) MCHR1HTTTDP1NPSR1MAPK1
SCHEMBL4888139 0.79 SMN1; SMN2 (0.42) MCHR1TDP1L3MBTL1MAPTALDH1A1
SCHEMBL4881875 0.79 L3MBTL1 (0.40) TDP1NPSR1MAPK1L3MBTL1MAPT
SCHEMBL10492299 0.79 HTT (0.38) MCHR1HTTTDP1TLR8NPSR1
SCHEMBL16973600 0.78 L3MBTL1 (0.38) HTTTDP1NPSR1MAPK1L3MBTL1
SCHEMBL1691562 0.78 MCHR1 (0.40) MCHR1TDP1NPSR1MAPK1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293939-A1 QUINAZOLINONE DERIVATIVES USEFUL AS ANTI-HYPERALGESIC AGENTS CULSHAW ANDREW JAMES 2008-11-27 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 (1 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-20080293939-A1 QUINAZOLINONE DERIVATIVES USEFUL AS ANTI-HYPERALGESIC AGENTS OPRK1, OPRL1, TRPV1 MCHR1 889/4885HTT 1818/4885TDP1 4273/4885

“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.