SCHEMBL3534255

SCHEMBL3534255

CCCC(C)(CC(=O)C(=O)O)c1ccc(C)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 3/20 0.38
CYP2C9 P11712 2/20 0.38
TSHR P16473 2/20 0.38
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C8 P10632 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA1A P35348 1/20 0.38
PPARG P37231 1/20 0.38
HTR2B P41595 1/20 0.38
PPARA Q07869 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
CISD1 Q9NZ45 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL3537445 0.83 MEN1 (0.50) ALDH1A1SMN1; SMN2GAAKDM4EMEN1
SCHEMBL3537468 0.77 NR3C1 (0.39) SLC13A5L3MBTL1ALDH1A1TDP1CYP2C9
SCHEMBL3534324 0.74 ALDH1A1 (0.37) L3MBTL1ALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL23666026 0.74 ACHE (0.47) L3MBTL1ALDH1A1TDP1CYP2C9ACHE
SCHEMBL3535667 0.73 L3MBTL1 (0.40) L3MBTL1ALDH1A1
SCHEMBL3535080 0.73 BACE1 (0.38) SMN1; SMN2
SCHEMBL3533700 0.72 KRAS (0.37) ALDH1A1TDP1GAAKDM4EMEN1
SCHEMBL12180609 0.71 ACHE (0.47) SLC13A5L3MBTL1ALDH1A1TDP1CYP2C9
SCHEMBL3533848 0.71 LMNA (0.39) SLC13A5ALDH1A1CYP2C9CYP1A2SMN1; SMN2
SCHEMBL3534894 0.71 NOTUM (0.37) ALDH1A1TSHRSMN1; SMN2GAAKDM4E

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 SLC13A5 4309/4885L3MBTL1 4867/4885ALDH1A1 511/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES SLC13A5 3901/4885L3MBTL1 4881/4885ALDH1A1 280/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES SLC13A5 4309/4885L3MBTL1 4867/4885ALDH1A1 511/4885

“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.