SCHEMBL6517329

SCHEMBL6517329

CC/C=C/CC/C=C/C=C/C=C/CC/C=C/C/C=C/CCC(=O)O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.81
CYP19A1 P11511 5/20 0.81
PPARG P37231 5/20 0.81
MAPT P10636 5/20 0.81
OXER1 Q8TDS5 4/20 0.81
FFAR1 O14842 3/20 0.81
RXRA P19793 2/20 0.81
PPARA Q07869 4/20 0.66
PTGS1 P23219 4/20 0.65
F7 P08709 3/20 0.65
F3 P13726 3/20 0.65
KMT2A Q03164 3/20 0.65
PPARD Q03181 3/20 0.65
ADORA3 P0DMS8 1/20 0.65
KDM4E B2RXH2 2/20 0.61
MEN1 O00255 2/20 0.61
LMNA P02545 2/20 0.61
CYP3A4 P08684 2/20 0.61
HPGD P15428 2/20 0.61
ALOX15 P16050 2/20 0.61

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
SCHEMBL24234956 1.00 ALDH1A1 (0.81) ALDH1A1CYP19A1PPARGMAPTOXER1
SCHEMBL6517333 1.00 ALDH1A1 (0.81) ALDH1A1CYP19A1PPARGMAPTOXER1
SCHEMBL21557476 1.00 ALDH1A1 (0.81) ALDH1A1CYP19A1PPARGMAPTOXER1
SCHEMBL28185188 0.96 ALDH1A1 (0.81) ALDH1A1CYP19A1PPARGMAPTOXER1
SCHEMBL31511869 0.96 ALDH1A1 (0.81) ALDH1A1CYP19A1PPARGMAPTOXER1
SCHEMBL22128525 0.96 ALDH1A1 (0.81) ALDH1A1CYP19A1PPARGMAPTOXER1
SCHEMBL12380530 0.96 ALDH1A1 (0.81) ALDH1A1CYP19A1PPARGMAPTOXER1
SCHEMBL15529526 0.96 ALDH1A1 (0.81) ALDH1A1CYP19A1PPARGMAPTOXER1
SCHEMBL17540719 0.94 ALDH1A1 (0.78) ALDH1A1CYP19A1PPARGMAPTOXER1
SCHEMBL5886674 0.94 ALDH1A1 (0.78) ALDH1A1CYP19A1PPARGMAPTOXER1

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 9 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
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

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 ALDH1A1 1307/4885CYP19A1 760/4885PPARG 365/4885
US-20130281461-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production PKD1, BPHL, CYP11B2 ALDH1A1 1307/4885CYP19A1 760/4885PPARG 365/4885

“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.