SCHEMBL3535666

SCHEMBL3535666

CCOC(=O)C(=O)CC(C)(C)c1ccc(Cl)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.43
MAPT P10636 4/20 0.40
FBP1 P09467 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
PLIN1 O60240 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
PLIN5 Q00G26 1/20 0.36
KMT2A Q03164 1/20 0.36
ABHD5 Q8WTS1 1/20 0.36
RIPK2 O43353 1/20 0.36

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
SCHEMBL3535079 0.85 CNR2 (0.41) CNR2MAPTMEN1PLIN1LMNA
SCHEMBL27618571 0.85 ALDH1A1 (0.39) CNR2MAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL3537131 0.80 CNR2 (0.44) CNR2MAPTFBP1ALDH1A1L3MBTL1
SCHEMBL21501401 0.79 MAPT (0.43) CNR2MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL3532090 0.79 CNR2 (0.43) CNR2MAPTFBP1ALDH1A1L3MBTL1
SCHEMBL3532960 0.76 ALDH1A1 (0.43) CNR2MAPTFBP1ALDH1A1L3MBTL1
SCHEMBL24486537 0.76 ALDH1A1 (0.44) CNR2MAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL3535431 0.75 CNR2 (0.45) CNR2MAPTFBP1ALDH1A1SMN1; SMN2
SCHEMBL21501283 0.75 CNR2 (0.49) CNR2MAPTFBP1ALDH1A1SMN1; SMN2
SCHEMBL897967 0.74 CNR2 (0.46) CNR2MAPTFBP1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662821-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) 2010-02-16 US disclosed
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
CN-100581543-C Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG 2010-01-20 CN disclosed
US-7638515-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 AKTIENGESELLSCHAFT (DE) 2009-12-29 US disclosed
CN-1889947-A Tetrahydronaphthalene derivatives, process for their preparation and their use as anti-inflammatory agents SCHERING AG (DE) 2007-01-03 CN 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
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-09-22 US disclosed
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-04 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 (3 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-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES CNR2 192/4885MAPT 672/4885FBP1 2157/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES CNR2 218/4885MAPT 964/4885FBP1 2466/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES CNR2 192/4885MAPT 672/4885FBP1 2157/4885

“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.