SCHEMBL5482952

SCHEMBL5482952

Cc1cc(C)c2c(c1)C(CC(O)(C=O)C(F)(F)F)CCC2

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.46
KDM4C Q9H3R0 1/20 0.41
NR3C1 P04150 9/20 0.35
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 4/20 0.33
PDE9A O76083 1/20 0.31

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
SCHEMBL5474457 0.88 UGT2B17 (0.46) UGT2B17KDM4CNR3C1
SCHEMBL5174356 0.74 UGT2B17 (0.53) UGT2B17KDM4C
SCHEMBL5471655 0.74 NR3C1 (0.49) KDM4CNR3C1
SCHEMBL5477212 0.73 NR3C1 (0.46) NR3C1
SCHEMBL5474630 0.73 UGT2B17 (0.51) UGT2B17KDM4CCYP11B1CYP11B2
SCHEMBL5471229 0.73 NR3C1 (0.35) UGT2B17KDM4CNR3C1
SCHEMBL15286569 0.72 UGT2B17 (0.62) UGT2B17KDM4C
SCHEMBL5173373 0.71 KDM4C (0.43) KDM4C
SCHEMBL5173559 0.71 UGT2B17 (0.60) UGT2B17KDM4CCYP11B1CYP11B2
SCHEMBL7951928 0.70 MTNR1A (0.57) UGT2B17KDM4C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents SCHERING AG (DE) 2007-06-07 US 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-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents TNF, CXCL8, MPO UGT2B17 500/4885KDM4C 3261/4885NR3C1 83/4885

“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.