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Sugi Predict / Compounds / SCHEMBL3550812

SCHEMBL3550812

SCHEMBL3550812

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.44
▸ LMNA P02545 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ FBP1 P09467 1/20 0.37
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ PDE5A O76074 2/20 0.35
▸ PDE6D O43924 1/20 0.35
▸ PDE6A P16499 1/20 0.35
▸ PDE6G P18545 1/20 0.35
▸ PDE6B P35913 1/20 0.35
▸ PDE6C P51160 1/20 0.35
▸ PDE6H Q13956 1/20 0.35
▸ ABCB11 O95342 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL3535431 0.83 CNR2 (0.45) CNR2LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL3531432 0.81 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPTMAPK1NPSR1
SCHEMBL332587 0.78 LMNA (0.33) CNR2LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL3550814 0.78 CNR2 (0.36) CNR2ALDH1A1MAPTHCRTR1HCRTR2
SCHEMBL21501283 0.77 CNR2 (0.49) CNR2LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL27650707 0.76 MAPT (0.39) ALDH1A1MAPTNPSR1
SCHEMBL331438 0.75 CNR2 (0.33) CNR2LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL3537131 0.72 CNR2 (0.44) CNR2ALDH1A1MAPTFBP1
SCHEMBL3535666 0.72 CNR2 (0.43) CNR2LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL27600022 0.72 NR3C1 (0.41) ALDH1A1MAPT

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 5 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
EP-1670458-B1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AG (DE) 2006-12-20 — — EP disclosed
EP-1670458-A1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-21 — — EP 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
WO-2005034939-A1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-21 — — WO 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 218/4885LMNA 3529/4885ALDH1A1 280/4885

“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.