SCHEMBL4889248

SCHEMBL4889248

CCOC(=O)C(O)(CC(F)(F)F)CC(C)(C)c1ccc(Cl)c(F)c1OC

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NR3C1 P04150 8/20 0.33
NR3C2 P08235 5/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
PPARA Q07869 1/20 0.33
LMNA P02545 1/20 0.33
FBP1 P09467 1/20 0.32
PGR P06401 1/20 0.31
AR P10275 1/20 0.31
POLB P06746 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
SCHEMBL331831 0.86 ALDH1A1 (0.44) ALDH1A1NR3C1NR3C2NPSR1MAPT
SCHEMBL4889253 0.81 ABCB11 (0.32) CNR2ALDH1A1NR3C1NR3C2NPSR1
SCHEMBL332587 0.80 LMNA (0.33) CNR2ALDH1A1NR3C1NR3C2NPSR1
SCHEMBL331523 0.76 MAPT (0.34) ALDH1A1NPSR1MAPTABCB11CYP1A2
SCHEMBL331385 0.74 NR3C1 (0.39) NR3C1NR3C2PGR
SCHEMBL6690054 0.71 POLB (0.46) ALDH1A1NPSR1MAPTMAPK1POLB
SCHEMBL331835 0.71 ALDH1A1 (0.45) CNR2ALDH1A1NR3C1NR3C2NPSR1
SCHEMBL3530718 0.71 ALDH1A1 (0.45) ALDH1A1NR3C1NR3C2NPSR1MAPT
SCHEMBL332047 0.70 ALDH1A1 (0.39) ALDH1A1MAPTTSHRHTR2ALMNA
SCHEMBL3529914 0.70 ALDH1A1 (0.41) ALDH1A1NR3C1NR3C2NPSR1MAPT

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-20080153859-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS REHWINKEL HARTMUT 2008-06-26 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-20080153859-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS DHPS, TNF, IL1B CNR2 284/4885ALDH1A1 261/4885NR3C1 1062/4885

“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.