SCHEMBL6096845

SCHEMBL6096845

CCCCc1cc(C)n(-c2ccc(CCO)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
POLB P06746 2/20 0.46
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ALOX5 P09917 1/20 0.42
SIGMAR1 Q99720 2/20 0.40
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
PTGS2 P35354 3/20 0.38
COMT P21964 1/20 0.37
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDPK1 O15530 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6099458 0.87 MAPT (0.49) MAPTPOLBSIGMAR1PTGS2MAPK1
SCHEMBL6098572 0.84 CNR2 (0.44) MAPTPOLBCNR1CNR2ALOX5
SCHEMBL6098089 0.79 MAPT (0.50) MAPTPOLBTP53MEN1KMT2A
SCHEMBL6096569 0.79 MAPT (0.43) MAPTPOLBTP53LMNAPTGS2
SCHEMBL6533675 0.76 MAPK1 (0.49) MAPTPOLBCNR1CNR2LMNA
SCHEMBL6094963 0.76 NPC1 (0.48) MAPTPOLBLMNAPTGS2NPC1
SCHEMBL6100393 0.74 CDK8 (0.43) MAPTPOLBPTGS2
SCHEMBL6096423 0.73 USP1 (0.45) MAPTPTGS2PDPK1
SCHEMBL23401415 0.72 CNR1 (0.49) MAPTPOLBCNR1CNR2ALOX5
SCHEMBL6096142 0.72 SMN1; SMN2 (0.46) MAPTLMNAPTGS2NPC1NFKB1

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 4327/4885CNR1 214/4885

“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.