SCHEMBL4573138

SCHEMBL4573138

CC(C)CC(O)(C(=O)c1cccc2c1OCC2)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.51
NR3C1 P04150 5/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
MAPK14 Q16539 1/20 0.38
PGR P06401 4/20 0.37
NR3C2 P08235 4/20 0.37
AR P10275 1/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PTGES O14684 2/20 0.35
SSTR4 P31391 2/20 0.34
PTGER4 P35408 2/20 0.34

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
SCHEMBL16981793 0.76 PARP1 (0.66) PARP1NR3C1HCRTR1HCRTR2MAPK14
SCHEMBL25485607 0.73 PARP1 (0.66) PARP1HCRTR1HCRTR2MAPK14NPSR1
SCHEMBL3360298 0.71 PARP1 (0.72) PARP1HCRTR1HCRTR2MAPK14MAPT
SCHEMBL26930777 0.70 PARP1 (0.54) PARP1HCRTR1HCRTR2MAPK14
SCHEMBL1502069 0.69 PARP1 (1.00) PARP1HCRTR1HCRTR2MAPT
SCHEMBL729580 0.69 PARP1 (0.74) PARP1HCRTR1HCRTR2MAPK14
SCHEMBL1021074 0.68 PARP1 (0.72) PARP1HCRTR1HCRTR2MAPK14MAPT
Hydrochloric Acid SCHEMBL7265489 0.68 PARP1 (0.72) PARP1HCRTR1HCRTR2MAPK14
SCHEMBL31468360 0.68 PARP1 (0.57) PARP1HCRTR1HCRTR2MAPK14SSTR4
SCHEMBL4573135 0.68 KCNH2 (0.38) PARP1NR3C1PGRNR3C2AR

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-20080227820-A1 CYCLIC PHENYL-SUBSTITUTED INDAZOLS, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AG (DE) 2008-09-18 US disclosed
WO-2008052808-A1 CYCLIC PHENYL-SUBSTITUTED INDAZOLS, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-08 WO disclosed
EP-1917963-A1 Cyclic phenyl-substituted indazols, a process for their production and their use as anti-inflammatory agents Bayer Schering Pharma Aktiengesellschaft (DE) 2008-05-07 EP 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-20080227820-A1 CYCLIC PHENYL-SUBSTITUTED INDAZOLS, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS PTGIS, PTGS1, PTGES PARP1 1391/4885NR3C1 865/4885HCRTR1 4080/4885

“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.