SCHEMBL3529916

SCHEMBL3529916

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.34
NR3C2 P08235 3/20 0.34
PDK1 Q15118 6/20 0.33
PDK2 Q15119 6/20 0.33
PDK3 Q15120 6/20 0.33
PDK4 Q16654 6/20 0.33
CTSS P25774 1/20 0.33
NOTUM Q6P988 1/20 0.33
PGR P06401 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 1/20 0.32
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 2/20 0.31
MGLL Q99685 1/20 0.30
TSHR P16473 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
SCHEMBL3535620 0.89 CTSS (0.34) NR3C1NR3C2CTSSALDH1A1KMT2A
SCHEMBL3536773 0.82 MEN1 (0.44) NR3C1NR3C2PDK1PDK2PDK3
SCHEMBL3536323 0.81 POLB (0.34) NR3C1NR3C2CTSSPGRALDH1A1
SCHEMBL3530601 0.79 CTSS (0.35) CTSS
SCHEMBL3534894 0.76 NOTUM (0.37) NOTUMALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL3529914 0.75 ALDH1A1 (0.41) NR3C1NR3C2PDK1PDK2PDK3
SCHEMBL3529919 0.74 CTSS (0.36) NR3C1NR3C2PDK1PDK2PDK3
SCHEMBL27176515 0.73 ALDH1A1 (0.45) PDK1PDK2PDK3PDK4NOTUM
SCHEMBL30093431 0.73 ALDH1A1 (0.45) PDK1PDK2PDK3PDK4NOTUM
SCHEMBL31619463 0.72 ALDH1A1 (0.44) PDK1PDK2PDK3PDK4CTSS

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 NR3C1 1387/4885NR3C2 755/4885PDK1 1588/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES NR3C1 1000/4885NR3C2 511/4885PDK1 1493/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES NR3C1 1387/4885NR3C2 755/4885PDK1 1588/4885

“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.