SCHEMBL3550814

SCHEMBL3550814

CCCC(C)(CC(O[Si](C)(C)C)(C(=O)O)C(F)(F)F)c1ccc(Cl)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
PPARA Q07869 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CCR1 P32246 1/20 0.33
RIPK2 O43353 1/20 0.32
CTSA P10619 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
PPARD Q03181 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RORC P51449 1/20 0.32
KMO O15229 1/20 0.32
NR1H2 P55055 2/20 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
SCHEMBL3535434 0.82 L3MBTL1 (0.36) PPARAL3MBTL1MAPTALDH1A1HCRTR1
SCHEMBL3531434 0.82 PDK1 (0.36) L3MBTL1MAPTALDH1A1CYP1A2KDM4E
SCHEMBL3550812 0.78 CNR2 (0.44) CNR2PPARAMAPTALDH1A1HCRTR1
SCHEMBL3537134 0.76 CYP2C19 (0.40) CNR2L3MBTL1MAPTALDH1A1CYP3A4
SCHEMBL3535667 0.74 L3MBTL1 (0.40) CNR2L3MBTL1MAPTALDH1A1RIPK2
SCHEMBL3550818 0.73 CTSA (0.35) PPARAMAPTALDH1A1CCR1CTSA
SCHEMBL3532091 0.72 L3MBTL1 (0.36) CNR2L3MBTL1MAPTALDH1A1CYP3A4
SCHEMBL3535468 0.70 MEN1 (0.37) CTSAMEN1KMT2A
SCHEMBL602672 0.67 AKR1C3 (0.47) CNR2MAPTALDH1A1RIPK2CYP1A1
SCHEMBL23059295 0.67 CNR2 (0.47) CNR2L3MBTL1MAPTALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659297-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines Bayer Schering Pharma, AG (DE) 2010-02-09 US disclosed
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-08 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-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES CNR2 218/4885PPARA 709/4885L3MBTL1 4881/4885

“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.