SCHEMBL6099458

SCHEMBL6099458

CCc1cc(C)n(-c2ccc(CCO)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
PTGS2 P35354 3/20 0.40
PDE4B Q07343 3/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA2 P00918 3/20 0.35
SIGMAR1 Q99720 2/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL6096845 0.87 MAPT (0.46) MAPTPOLBPTGS2TDP1CA2
SCHEMBL6098089 0.83 MAPT (0.50) MAPTPOLBTDP1L3MBTL1
SCHEMBL6100393 0.78 CDK8 (0.43) MAPTPOLBPTGS2
SCHEMBL15832409 0.78 MAPT (0.47) MAPTPOLBPTGS2PDE4BL3MBTL1
SCHEMBL6096423 0.77 USP1 (0.45) MAPTPTGS2
SCHEMBL6533675 0.76 MAPK1 (0.49) MAPTPOLBTDP1L3MBTL1CA2
SCHEMBL6096142 0.75 SMN1; SMN2 (0.46) MAPTPTGS2TDP1L3MBTL1CA2
SCHEMBL12871781 0.74 POLB (0.43) MAPTPOLBPTGS2
SCHEMBL6096155 0.73 NPC1 (0.49) PTGS2
SCHEMBL9978383 0.72 SIGMAR1 (0.59) L3MBTL1SIGMAR1

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-7001917-B2 Pyrazole compounds as anti-inflammatory and analgesic agents WARNER LAMBERT COMPANY LLC (US) 2006-02-21 US disclosed
EP-1495005-A1 PYRAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS Pfizer Japan Inc. (JP) 2005-01-12 EP disclosed
US-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents HIRANO MISATO (JP) 2004-01-29 US disclosed
WO-2003087061-A1 PYRAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER JAPAN INC. (JP) 2003-10-23 WO 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-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents PTGER1, PTGS1, PTGIR MAPT 3914/4885POLB 4327/4885PTGS2 10/4885

“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.