SCHEMBL3537533

SCHEMBL3537533

CCCC(C)(CCC(=O)O)c1cccc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.45
FFAR1 O14842 2/20 0.43
MTNR1B P49286 7/20 0.41
MAPK1 P28482 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MTNR1A P48039 6/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL3532963 0.84 LMNA (0.41) LMNACYP1A2MAPK1CES2CES1
SCHEMBL19455957 0.82 KIF11 (0.42) LMNACES2CES1
SCHEMBL3536185 0.82 TAS1R3 (0.41) LMNACYP1A2MTNR1BMTNR1A
SCHEMBL29135809 0.80 LMNA (0.45) LMNACYP1A2MTNR1BMAPK1CES2
SCHEMBL27491819 0.80 LMNA (0.46) LMNACYP1A2FFAR1MAPK1FFAR4
SCHEMBL11074467 0.77 LMNA (0.46) LMNACYP1A2FFAR1MAPK1FFAR4
SCHEMBL20313082 0.77 CNR2 (0.54)
SCHEMBL3537134 0.76 CYP2C19 (0.40) LMNA
SCHEMBL5644608 0.76 CNR1 (0.52) CES2CES1
SCHEMBL13930875 0.75 KIF11 (0.46) LMNACES2CES1

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 LMNA 3390/4885CYP1A2 38/4885FFAR1 2940/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES LMNA 3529/4885CYP1A2 36/4885FFAR1 2058/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES LMNA 3390/4885CYP1A2 38/4885FFAR1 2940/4885

“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.