SCHEMBL5143572

SCHEMBL5143572

CC(C)(C)Oc1cccc2ccc[c]c12

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL5535846 0.81 MPL (0.35) KDM4E
SCHEMBL457448 0.79 CA1 (0.42) KDM4EALDH1A1HSD17B10
SCHEMBL676973 0.75 KCNH2 (0.34) KCNH2
SCHEMBL16961954 0.75 KCNH2 (0.34) KCNH2
SCHEMBL16958470 0.75 KCNH2 (0.34) KCNH2
SCHEMBL5142812 0.74 MCHR1 (0.44) ALDH1A1
SCHEMBL2256393 0.74 ALDH1A1 (0.46) ALDH1A1
SCHEMBL16953093 0.73 KCNH2 (0.33) KCNH2
SCHEMBL16958378 0.73 KCNH2 (0.33) KCNH2
SCHEMBL16961171 0.72 CA12 (0.34) KCNH2

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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1285914-B1 Nr1h4 nuclear receptor binding compounds PHENEX PHARMACEUTICALS AG (DE) 2007-12-19 EP disclosed
EP-1423370-A4 FXR NR1H4 NUCLEAR RECEPTOR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2007-04-18 EP disclosed
EP-1423113-A4 NR1H4 NUCLEAR RECEPTOR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2007-04-18 EP disclosed
EP-1423111-A4 FXR NR1H4 NUCLEAR RECEPTOR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2007-04-18 EP disclosed
US-20070010562-A1 Nr1h4 nuclear receptor binding compounds PHENEX PHARMACEUTICALS AG (DE) 2007-01-11 US disclosed
US-7098336-B2 FXR NR1H4 nuclear receptor binding compounds PHENEX PHARMACEUTICALS AG (DE) 2006-08-29 US disclosed
US-20060148876-A1 Nr3b1 nuclear receptor binding 3-substituted pyrazoles PHENEX PHARMACEUTICALS AG (DE) 2006-07-06 US disclosed
EP-1536799-B1 NOVEL 2-AMINO-4-OXOQUINAZOLONES AS LXR NUCLEAR RECEPTOR BINDING COMPOUNDS WITH PARTIAL AGONISTIC PROPERTIES PHENEX PHARMACEUTICALS AG (DE) 2006-05-10 EP disclosed
US-7034046-B2 NR1H4 nuclear receptor binding compounds PHENEX PHARMACEUTICALS AG (DE) 2006-04-25 US disclosed
WO-2006002022-A2 COMPOSITIONS AND METHODS USEFUL FOR THE TREATMENT OF HYPERGLYCEMIA IMMUSOL INCORPORATED (US) 2006-01-05 WO disclosed
EP-0983507-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 2000-03-08 EP disclosed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 EP disclosed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO disclosed
US-5925527-A SCREENING NEW PHARMACEUTICALS TREGA BIOSCIENCES, INC. (US) 1999-07-20 US disclosed
US-5916899-A SOLID PHASE SYNTHESIS, REACTING PROTECTED AMINO ACID WITH SOLID SUPPORT; FORMING IMINE BY REACTION WITH ALDEHYDE, CYCLIZATION WITH ANHYDRIDE, CLEAVAGE AND DEPROTECTION. TREGA BIOSCIENCES, INC. (US) 1999-06-29 US disclosed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US disclosed
CN-1202888-A Isoquinoline derivatives and isoquinoline combinatorial libraries TORREY PINES INST (US) 1998-12-23 CN disclosed
US-5840500-A OPIOD RECEPTORS AS ANALGESICS AND CENTRALLY ACTING PAIN KILLERS TREGA BIOSCIENCES, INC. (US) 1998-11-24 US disclosed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO disclosed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 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 (2 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-20070010562-A1 Nr1h4 nuclear receptor binding compounds NR1H4, NR1H2, NR1H3 KCNH2 2332/4885KDM4E 3147/4885ALDH1A1 2359/4885
US-20060148876-A1 Nr3b1 nuclear receptor binding 3-substituted pyrazoles NR0B1, NR0B2, NR4A3 KCNH2 4394/4885KDM4E 3918/4885ALDH1A1 1188/4885

“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.