SCHEMBL3536323

SCHEMBL3536323

CCCC(C)(CC(O)(C(=O)O)C(F)(F)F)c1cccc(C)c1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CTSS P25774 1/20 0.34
ALDH1A1 P00352 5/20 0.33
NR3C1 P04150 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
GAA P10253 1/20 0.32
NR1H4 Q96RI1 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL3530601 0.86 CTSS (0.35) CTSS
SCHEMBL3535620 0.83 CTSS (0.34) CTSSALDH1A1NR3C1NR3C2KMT2A
SCHEMBL3529916 0.81 NR3C1 (0.34) CTSSALDH1A1NR3C1HSD17B10PGR
SCHEMBL3537468 0.77 NR3C1 (0.39) ALDH1A1NR3C1SMN1; SMN2L3MBTL1PGR
SCHEMBL3534324 0.77 ALDH1A1 (0.37) POLBCTSSALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3536773 0.76 MEN1 (0.44) ALDH1A1NR3C1L3MBTL1LMNANR3C2
SCHEMBL1775737 0.75 NR3C1 (0.52) NR3C1PGRNR3C2
SCHEMBL3536320 0.74 ALDH1A1 (0.46) POLBNPSR1CTSSALDH1A1NR3C1
SCHEMBL27176588 0.74 ALDH1A1 (0.39) CTSSALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL3536325 0.72 CTSS (0.38) POLBNPSR1CTSSALDH1A1NR3C1

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 6 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
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 POLB 2124/4885NPSR1 1202/4885CTSS 1878/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES POLB 2220/4885NPSR1 777/4885CTSS 1834/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES POLB 2124/4885NPSR1 1202/4885CTSS 1878/4885

“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.