SCHEMBL3529753

SCHEMBL3529753

CCOC(=O)C(=O)CC1(c2cccc(F)c2OC)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.38
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
NLRP3 Q96P20 1/20 0.33
HSD11B1 P28845 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL1261949 0.94 ALDH1A1 (0.36) HDAC4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3535522 0.86 HDAC4 (0.38) HDAC4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3530707 0.80 GPR35 (0.36) HDAC4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1262117 0.79 HDAC4 (0.35) HDAC4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3533236 0.74 GAA (0.47) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL28687460 0.72 SLC6A3 (0.37) HDAC4ALDH1A1MEN1KMT2ASLC6A4
SCHEMBL3547097 0.71 P2RX7 (0.39) HDAC4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1260201 0.71 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL3536357 0.70 SLC6A4 (0.34) HDAC4MEN1KMT2ASLC6A4SLC6A3
SCHEMBL3529757 0.68 HDAC4 (0.35) HDAC4MEN1KMT2AGAASLC6A4

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 9 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
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
EP-1670458-A1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-21 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-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
WO-2005034939-A1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-21 WO 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 HDAC4 2376/4885ALDH1A1 511/4885KDM4E 3610/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES HDAC4 3100/4885ALDH1A1 280/4885KDM4E 3612/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES HDAC4 2376/4885ALDH1A1 511/4885KDM4E 3610/4885

“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.