SCHEMBL3533700

SCHEMBL3533700

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.37
TNFRSF1A P19438 1/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
CTSS P25774 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
PTPN1 P18031 1/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
GAA P10253 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL3534324 0.87 ALDH1A1 (0.37) TNFRSF1AKMT2AMEN1CTSSNR1H4
SCHEMBL3534894 0.86 NOTUM (0.37) TNFRSF1AKMT2AMEN1NR1H4ERCC5
SCHEMBL3531853 0.84 SCN5A (0.34)
SCHEMBL3536311 0.84 KRAS (0.37) KRASTNFRSF1AKMT2AMEN1CTSS
SCHEMBL3537445 0.80 MEN1 (0.50) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL3535620 0.76 CTSS (0.34) KRASKMT2ACTSSALDH1A1
SCHEMBL3535080 0.73 BACE1 (0.38)
SCHEMBL27176519 0.73 KMT2A (0.40) KRASTNFRSF1AKMT2ACTSSNR1H4
SCHEMBL3532817 0.73 KMT2A (0.43) KMT2AMEN1PTPN1ERCC5FEN1
SCHEMBL3532963 0.73 LMNA (0.41) KMT2AMEN1KDM4E

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 KRAS 4279/4885TNFRSF1A 500/4885KMT2A 4643/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES KRAS 4061/4885TNFRSF1A 343/4885KMT2A 4630/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES KRAS 4279/4885TNFRSF1A 500/4885KMT2A 4643/4885

“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.