SCHEMBL3536916

SCHEMBL3536916

CCC(C1(c2ccccc2)CCCCC1)C(O)(C(=O)O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.38
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
SLC6A2 P23975 2/20 0.36
PRCP P42785 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
AKR1C1 Q04828 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
OPRM1 P35372 2/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL3531389 0.71 CTSS (0.33)
SCHEMBL3533238 0.70 HDAC4 (0.43) HDAC4SLC6A4SLC6A3SLC6A2PRCP
SCHEMBL8234087 0.70 SLC6A4 (0.46) HDAC4SLC6A4SLC6A3SLC6A2AKR1C1
SCHEMBL28273316 0.68 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2
SCHEMBL4278396 0.68 HDAC4 (0.44) HDAC4SLC6A4SLC6A3SLC6A2AKR1C1
SCHEMBL873930 0.68 HDAC4 (0.41) HDAC4SLC6A4SLC6A3SLC6A2PRCP
SCHEMBL16986558 0.67 HDAC4 (0.40) HDAC4SLC6A4SLC6A3SLC6A2PRCP
SCHEMBL28776197 0.67 SLC6A4 (0.50) HDAC4SLC6A4SLC6A3SLC6A2AKR1C1
SCHEMBL290573 0.66 OPRM1 (0.46) HDAC4SLC6A4SLC6A3SLC6A2PRCP
Hydrogen Peroxide SCHEMBL11527807 0.65 SLC6A4 (0.56) HDAC4SLC6A4SLC6A3SLC6A2AKR1C1

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 HDAC4 2376/4885SLC6A4 3613/4885SLC6A3 4334/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES HDAC4 3100/4885SLC6A4 4230/4885SLC6A3 4596/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES HDAC4 2376/4885SLC6A4 3613/4885SLC6A3 4334/4885

“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.