SCHEMBL3534878

SCHEMBL3534878

COc1c(Cl)cccc1C(C)(C)CC(O)(C=O)CC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.39
NR3C2 P08235 10/20 0.39
PGR P06401 3/20 0.38
CTSS P25774 1/20 0.34
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
RORC P51449 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL3529041 0.84 NR3C1 (0.42) NR3C1NR3C2PGRCTSSPDK1
SCHEMBL3534876 0.81 NR3C1 (0.38) NR3C1NR3C2PGRCTSSPDK1
SCHEMBL3534881 0.79 NR3C1 (0.36) NR3C1NR3C2PGRCTSS
SCHEMBL3533845 0.77 NR3C1 (0.53) NR3C1NR3C2PGR
SCHEMBL3530718 0.73 ALDH1A1 (0.45) NR3C1NR3C2PGRCTSSPDK1
SCHEMBL3532638 0.72 ALDH1A1 (0.36) CTSSKDM4EALDH1A1HSD17B10
SCHEMBL3529914 0.71 ALDH1A1 (0.41) NR3C1NR3C2PGRCTSSPDK1
SCHEMBL23886239 0.70 KDM4E (0.39) NR3C1NR3C2PGRPDK1PDK2
SCHEMBL30093431 0.70 ALDH1A1 (0.45) PDK1PDK2PDK3PDK4RORC
SCHEMBL27176515 0.70 ALDH1A1 (0.45) PDK1PDK2PDK3PDK4RORC

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 7 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
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
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-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 (2 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 755/4885PGR 3963/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES NR3C1 1000/4885NR3C2 511/4885PGR 3505/4885

“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.