SCHEMBL13085664

SCHEMBL13085664

Cc1cc(C(C)C)cc(CO)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SORD Q00796 5/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
MAPK1 P28482 2/20 0.33
POLQ O75417 1/20 0.33
CRHR1 P34998 3/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
TRPA1 O75762 1/20 0.31
PTGS1 P23219 1/20 0.31
CACNA1C Q13936 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
SCHEMBL17682698 0.82 NOS3 (0.39) TLR9TLR8TLR7MAPK1POLQ
SCHEMBL4049194 0.80 NOS3 (0.34) GABRA1GABRB2
SCHEMBL12120832 0.78 NOS2 (0.42) GABRA1GABRB2
SCHEMBL803445 0.78 POLB (0.38) MAPK1CRHR1LMNAGABRA1GABRB2
SCHEMBL13085751 0.76 ALDH1A1 (0.34) CRHR1LMNA
SCHEMBL667378 0.74 NOS2 (0.44) MAPK1MEN1GAAKMT2A
SCHEMBL12899792 0.72 PTGS1 (0.39) MAPK1POLQCRHR1GAALMNA
SCHEMBL11030024 0.72 ACHE (0.42) SORDMAPK1MEN1GAAKMT2A
SCHEMBL31574144 0.71 NOTUM (0.38) MAPK1CRHR1MEN1GAAKMT2A
SCHEMBL22556943 0.71 GRIN2D (0.39) MAPK1MEN1GAAKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 US disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 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-20080015199-A1 Triazolone derivatives F3, F12, F2 SORD 3374/4885TLR9 4604/4885TLR8 4679/4885

“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.