SCHEMBL1760467

SCHEMBL1760467

Cc1cc(Br)cc2c1-c1cc3c(cc1C2(C)C)-c1ccc(Br)cc1C3(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.35
PDK2 Q15119 1/20 0.33
ALK Q9UM73 1/20 0.31
AKR1A1 P14550 1/20 0.30
AKR1B1 P15121 1/20 0.30

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
SCHEMBL1034952 0.90
SCHEMBL12647615 0.88 PGR (0.32) PGRPDK2
SCHEMBL5013191 0.84 PDK2 (0.42) PGRPDK2ALKAKR1A1AKR1B1
SCHEMBL29294792 0.84 PDK2 (0.42) PGRPDK2ALKAKR1A1AKR1B1
SCHEMBL29458875 0.84 PDK2 (0.42) PGRPDK2ALKAKR1A1AKR1B1
SCHEMBL5063493 0.84 PDK2 (0.42) PGRPDK2ALKAKR1A1AKR1B1
SCHEMBL31363096 0.82 PDK2 (0.41) PGRPDK2
SCHEMBL204806 0.80 PDK2 (0.44) PGRPDK2AKR1A1AKR1B1
SCHEMBL29403081 0.80 PDK2 (0.44) PGRPDK2AKR1A1AKR1B1
SCHEMBL29587737 0.80 PDK2 (0.44) PGRPDK2AKR1A1AKR1B1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090590-B2 Organic compounds for electroluminescent devices MERCK PATENT GMBH (DE) 2015-07-28 US disclosed
US-9090590-B2 Organic compounds for electroluminescent devices MERCK PATENT GMBH (DE) 2015-07-28 US disclosed
US-9090590-B2 Organic compounds for electroluminescent devices MERCK PATENT GMBH (DE) 2015-07-28 US disclosed
US-20130053558-A1 ORGANIC COMPOUNDS FOR ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-02-28 US disclosed
US-20130053558-A1 ORGANIC COMPOUNDS FOR ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-02-28 US disclosed
US-20130053558-A1 ORGANIC COMPOUNDS FOR ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-02-28 US disclosed
WO-2011057701-A1 ORGANIC COMPOUNDS FOR ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-05-19 WO disclosed
WO-2011057701-A1 ORGANIC COMPOUNDS FOR ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-05-19 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 (1 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-20130053558-A1 ORGANIC COMPOUNDS FOR ELECTROLUMINESCENT DEVICES PIEZO1, EMC1, EPCAM PGR 1576/4885PDK2 1366/4885ALK 3665/4885

“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.