SCHEMBL4889253

SCHEMBL4889253

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

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
HTR2A P28223 1/20 0.32
PMP22 Q01453 1/20 0.32
PPARA Q07869 1/20 0.32
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NR3C1 P04150 4/20 0.31
NR3C2 P08235 2/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 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
SCHEMBL331831 0.82 ALDH1A1 (0.44) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL4889248 0.81 CNR2 (0.34) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL332587 0.76 LMNA (0.33) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL331523 0.74 MAPT (0.34) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL331385 0.72 NR3C1 (0.39) NR3C1NR3C2
SCHEMBL332047 0.69 ALDH1A1 (0.39) TSHRHTR2AALDH1A1MAPTLMNA
SCHEMBL3530718 0.68 ALDH1A1 (0.45) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL331835 0.68 ALDH1A1 (0.45) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL3529914 0.66 ALDH1A1 (0.41) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL331531 0.65 ALDH1A1 (0.33) ALDH1A1NR3C1NR3C2MAPTMAPK1

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 ABCB11 1394/4885CYP1A2 47/4885CYP3A4 55/4885

“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.