SCHEMBL3534867

SCHEMBL3534867

COc1cccc2c1C(C)(C)CC(O)(C(F)(F)F)C2Nc1cccc2nc(C)ncc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.60
PGR P06401 3/20 0.44
AR P10275 2/20 0.44
HCRTR1 O43613 6/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
HSD17B10 Q99714 2/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
POLB P06746 1/20 0.31
HCRTR2 O43614 3/20 0.30
SOS1 Q07889 1/20 0.30
HSP90AA1 P07900 1/20 0.30
USP1 O94782 1/20 0.30
WDR48 Q8TAF3 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL3534862 1.00 NR3C1 (0.60) NR3C1PGRARHCRTR1CYP1A2
SCHEMBL3534865 1.00 NR3C1 (0.60) NR3C1PGRARHCRTR1CYP1A2
SCHEMBL3535113 0.90 NR3C1 (0.75) NR3C1PGRARHCRTR1HCRTR2
SCHEMBL3535107 0.90 NR3C1 (0.75) NR3C1PGRARHCRTR1HCRTR2
SCHEMBL3535110 0.90 NR3C1 (0.75) NR3C1PGRARHCRTR1HCRTR2
SCHEMBL3536711 0.88 NR3C1 (0.65) NR3C1PGRARHCRTR2
SCHEMBL3536715 0.88 NR3C1 (0.65) NR3C1PGRARHCRTR2
SCHEMBL3536712 0.88 NR3C1 (0.65) NR3C1PGRARHCRTR2
SCHEMBL3533157 0.87 NR3C1 (0.57) NR3C1PGRAR
SCHEMBL3533154 0.87 NR3C1 (0.57) NR3C1PGRAR

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 8 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 claimed
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 claimed
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
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
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

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 NR3C1 1387/4885PGR 3963/4885AR 3697/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES NR3C1 1000/4885PGR 3505/4885AR 3564/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES NR3C1 1387/4885PGR 3963/4885AR 3697/4885

“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.