SCHEMBL3532963

SCHEMBL3532963

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CTBP2 P56545 1/20 0.39
BCHE P06276 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KIF11 P52732 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
POLB P06746 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
SLC13A5 Q86YT5 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
STAT1 P42224 1/20 0.38

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
SCHEMBL3537533 0.84 LMNA (0.47) LMNACYP1A2CES2CES1POLB
SCHEMBL6585390 0.82 LMNA (0.46) LMNACYP1A2MEN1KMT2ACTBP2
SCHEMBL19455957 0.80 KIF11 (0.42) LMNAMAOBCES2CES1KIF11
SCHEMBL3536185 0.80 TAS1R3 (0.41) LMNACYP1A2KIF11TAS1R3TAS1R1
SCHEMBL29135809 0.78 LMNA (0.45) LMNACYP1A2KDM4ECES2CES1
SCHEMBL3535667 0.77 L3MBTL1 (0.40) CNR2MAPT
SCHEMBL3535080 0.77 BACE1 (0.38) SMN1; SMN2
SCHEMBL5644608 0.74 CNR1 (0.52) MAOBCES2CES1KIF11CNR1
SCHEMBL13930875 0.73 KIF11 (0.46) LMNAMAOBCES2CES1KIF11
SCHEMBL3537445 0.73 MEN1 (0.50) LMNAMEN1KMT2AMAOBKDM4E

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 38/4885MEN1 4050/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES LMNA 3529/4885CYP1A2 36/4885MEN1 2555/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES LMNA 3390/4885CYP1A2 38/4885MEN1 4050/4885

“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.