SCHEMBL4573132

SCHEMBL4573132

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
NR3C1 P04150 5/20 0.38
PGR P06401 4/20 0.35
NR3C2 P08235 4/20 0.35
AR P10275 1/20 0.32
USP9X Q93008 1/20 0.31
PKLR P30613 1/20 0.30
PTGER4 P35408 2/20 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
SCHEMBL31519134 0.76 PARP1 (0.45) PARP1NR3C1USP9XPKLR
SCHEMBL3364105 0.71 PARP1 (0.49) PARP1USP9XPKLR
SCHEMBL2735120 0.70 PARP1 (0.47) PARP1NR3C1PGRNR3C2USP9X
SCHEMBL4573135 0.70 KCNH2 (0.38) PARP1NR3C1PGRNR3C2AR
SCHEMBL24469475 0.68 PARP1 (0.49) PARP1
SCHEMBL19682340 0.68 PARP1 (0.45) PARP1USP9X
SCHEMBL26462964 0.68 PARP1 (0.45) PARP1USP9X
SCHEMBL14531780 0.67 PARP1 (0.41) PARP1USP9X
Hydrochloric Acid SCHEMBL29042928 0.67 PARP1 (0.47) PARP1
Hydrochloric Acid SCHEMBL29042929 0.67 PARP1 (0.47) PARP1

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 865/4885PGR 897/4885

“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.