SCHEMBL3399216

SCHEMBL3399216

CCCCCC/C=C/C=C/C=C/C=C/CCCCCC(=O)O

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.96
PPARG P37231 5/20 0.81
PPARD Q03181 5/20 0.81
PPARA Q07869 5/20 0.81
F7 P08709 5/20 0.81
F3 P13726 5/20 0.81
TERT O14746 3/20 0.81
PTPN1 P18031 3/20 0.81
HSD17B10 Q99714 3/20 0.81
FABP4 P15090 3/20 0.81
MAPT P10636 2/20 0.81
BLM P54132 2/20 0.81
LMNA P02545 2/20 0.81
ALOX15 P16050 2/20 0.81
DUSP3 P51452 2/20 0.81
CYP19A1 P11511 2/20 0.81
PTGS1 P23219 2/20 0.81
NR4A2 P43354 2/20 0.81
SIRT6 Q8N6T7 2/20 0.81
PTPN7 P35236 2/20 0.81

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
SCHEMBL1647674 1.00 FASN (0.96) FASNPPARGPPARDPPARAF7
SCHEMBL2230814 1.00 FASN (0.96) FASNPPARGPPARDPPARAF7
SCHEMBL1271128 1.00 FASN (0.96) FASNPPARGPPARDPPARAF7
SCHEMBL1017653 1.00 FASN (0.96) FASNPPARGPPARDPPARAF7
SCHEMBL23698235 1.00 FASN (0.96) FASNPPARGPPARDPPARAF7
SCHEMBL37277 1.00 FASN (0.96) FASNPPARGPPARDPPARAF7
SCHEMBL23698236 1.00 FASN (0.96) FASNPPARGPPARDPPARAF7
SCHEMBL16994321 1.00 FASN (0.96) FASNPPARGPPARDPPARAF7
SCHEMBL1647672 1.00 FASN (0.96) FASNPPARGPPARDPPARAF7
SCHEMBL1017655 1.00 FASN (0.96) FASNPPARGPPARDPPARAF7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614848-B1 Inhaler and capsule for an inhaler BOEHRINGER INGELHEIM INT (DE) 2020-07-01 EP disclosed
US-10220165-B2 Inhalator and capsule for an inhalator BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-03-05 US disclosed
US-8772298-B2 Spirocyclic heterocycles medicaments containing said compounds, use thereof and method for their production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 US disclosed
US-20140182587-A1 INHALATOR AND CAPSULE FOR AN INHALATOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-03 US disclosed
US-20130281461-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 US disclosed
CN-101939316-B Spirocyclic heterocyclic compounds, medicaments containing said compounds, their use and processes for their preparation BOEHRINGER INGELHEIM INT 2013-10-02 CN disclosed
US-8497369-B2 Spirocyclic heterocycles medicaments containing said compounds, use thereof and method for their production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-30 US disclosed
EP-2614848-A1 Inhaler and capsule for an inhaler Boehringer Ingelheim International GmbH (DE) 2013-07-17 EP disclosed
EP-2245026-B1 SPIROCYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2012-08-01 EP disclosed
US-20110046148-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-24 US disclosed
EP-2245026-A1 SPIROCYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND METHOD FOR THEIR PRODUCTION Boehringer Ingelheim International GmbH (DE) 2010-11-03 EP disclosed
WO-2009098061-A1 SPIROCYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-13 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-20110046148-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production PKD1, BPHL, CYP11B2 FASN 3454/4885PPARG 365/4885PPARD 278/4885
US-20130281461-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production PKD1, BPHL, CYP11B2 FASN 3454/4885PPARG 365/4885PPARD 278/4885

“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.