SCHEMBL6404852

SCHEMBL6404852

COc1cc(Br)ccc1C(C)(C)CC(O)(C(=O)Nc1cccc2[nH]ncc12)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.43
DHPS P49366 1/20 0.41
NR3C1 P04150 2/20 0.40
PGR P06401 2/20 0.40
NR3C2 P08235 1/20 0.39
AR P10275 1/20 0.39
RET P07949 1/20 0.39
KIF5B P33176 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6402808 0.89 DHPS (0.43) TRPV1DHPSNPC1LMNACYP1A2
SCHEMBL5777188 0.84 NR3C1 (0.49) TRPV1NR3C1PGRNR3C2RET
SCHEMBL3693681 0.82 MAPT (0.55) NR3C1PGRNR3C2ARLMNA
SCHEMBL3649826 0.76 NR3C1 (0.58) NR3C1PGRNR3C2ARCYP1A2
SCHEMBL5780477 0.74 NR3C1 (0.60) NR3C1PGRNR3C2
SCHEMBL4630288 0.73 NR3C1 (0.49) TRPV1NR3C1PGRNR3C2RET
SCHEMBL5780730 0.73 NR3C2 (0.43) NR3C1PGRNR3C2
SCHEMBL6409205 0.72 NR3C1 (0.48) TRPV1DHPSNR3C1PGRNR3C2
SCHEMBL27481702 0.72 PGR (0.75) NR3C1PGRNR3C2AR
SCHEMBL5777416 0.72 NR3C1 (0.55) NR3C1PGRNR3C2

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-20050090559-A1 Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2005-04-28 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-20050090559-A1 Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents IL1B, NFKBIA, BBOX1 TRPV1 743/4885DHPS 198/4885NR3C1 1483/4885

“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.