SCHEMBL4573135

SCHEMBL4573135

CC(Cc1cccc2c1OCC2)CC(O)(C=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
NR3C1 P04150 5/20 0.38
PARP1 P09874 1/20 0.36
PGR P06401 4/20 0.35
NR3C2 P08235 4/20 0.35
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
CCR8 P51685 1/20 0.32
AR P10275 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
CHRM4 P08173 1/20 0.31
PKLR P30613 1/20 0.30
ACKR3 P25106 1/20 0.30
TGM2 P21980 1/20 0.30

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
SCHEMBL4800816 0.83 PARP1 (0.39) NR3C1PARP1PGRNR3C2
SCHEMBL24873061 0.73 KCNH2 (0.52) KCNH2SLC6A2SLC6A4PARP1HTR2A
SCHEMBL4573132 0.70 PARP1 (0.39) NR3C1PARP1PGRNR3C2AR
SCHEMBL4573138 0.68 PARP1 (0.51) NR3C1PARP1PGRNR3C2AR
SCHEMBL12467354 0.67 PARP1 (0.51) KCNH2SLC6A2SLC6A4NR3C1PARP1
SCHEMBL16815610 0.67 KCNH2 (0.49) KCNH2SLC6A2SLC6A4PARP1HTR2A
SCHEMBL16815367 0.67 KCNH2 (0.49) KCNH2SLC6A2SLC6A4PARP1HTR2A
SCHEMBL3360302 0.66 PARP1 (0.47) KCNH2SLC6A2SLC6A4PARP1HTR2A
SCHEMBL31519123 0.66 PARP1 (0.47) KCNH2SLC6A2SLC6A4PARP1HTR2A
SCHEMBL26199618 0.65 SLC6A2 (0.44) KCNH2SLC6A2SLC6A4PARP1HTR2A

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 KCNH2 2756/4885SLC6A2 4765/4885SLC6A4 4662/4885

“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.