SCHEMBL5451931

SCHEMBL5451931

CCC1CC(O)(C(F)(F)F)C(O)(CNc2cccc3[nH]ncc23)c2ccc(F)c(OC)c21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.36
PGR P06401 1/20 0.36
TRPV1 Q8NER1 9/20 0.34
RAF1 P04049 3/20 0.33
BRAF P15056 3/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
EPAS1 Q99814 2/20 0.32
RET P07949 1/20 0.32
KIF5B P33176 1/20 0.32

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
SCHEMBL5466688 0.86 NR3C1 (0.51) NR3C1PGRTRPV1
SCHEMBL5462980 0.83 NR3C1 (0.55) NR3C1PGRHTT
SCHEMBL5459844 0.82 NR3C1 (0.34) NR3C1PGRLMNAHTT
SCHEMBL5452611 0.80 NR3C1 (0.42) NR3C1PGR
SCHEMBL5462819 0.71 NR3C1 (0.54) NR3C1PGRTRPV1
SCHEMBL5471686 0.67 TRPV1 (0.36) TRPV1RAF1BRAF
SCHEMBL3534376 0.66 NR3C1 (0.56) NR3C1PGRTRPV1RAF1BRAF
SCHEMBL6403409 0.63 NR3C1 (0.50) NR3C1PGRTRPV1RAF1BRAF
SCHEMBL5460522 0.62 NR3C1 (0.43) NR3C1PGRTRPV1
SCHEMBL6407224 0.61 NR3C1 (0.51) NR3C1PGRRAF1BRAFRET

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-20070015750-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAEURLE STEFAN 2007-01-18 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-20070015750-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES NR3C1 676/4885PGR 3316/4885TRPV1 157/4885

“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.