SCHEMBL1312470

SCHEMBL1312470

C#CCC(C)(CC)C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
DGAT1 O75907 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 1/20 0.33
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
POLB P06746 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
SCHEMBL1313182 0.84 ALDH1A1 (0.34) ALDH1A1CYP3A4DGAT1MMP1MMP9
SCHEMBL2475483 0.79 DGAT1 (0.44) ALDH1A1DGAT1L3MBTL1POLB
SCHEMBL7435863 0.79 MEN1 (0.36) ALDH1A1DGAT1POLB
SCHEMBL1316720 0.78 ALDH1A1 (0.37) ALDH1A1CYP3A4DGAT1MMP1MMP9
SCHEMBL3974919 0.76 ALDH1A1 (0.38) ALDH1A1CYP3A4DGAT1MMP1MMP9
SCHEMBL16705046 0.75 DGAT1 (0.41) ALDH1A1DGAT1L3MBTL1POLB
SCHEMBL16153798 0.73 L3MBTL1 (0.32) L3MBTL1
SCHEMBL106266 0.73 DGAT1 (0.39) ALDH1A1DGAT1L3MBTL1POLB
SCHEMBL12200986 0.73 DGAT1 (0.39) ALDH1A1DGAT1L3MBTL1HTTPOLB
SCHEMBL22498238 0.72 ALDH1A1 (0.36) ALDH1A1CYP3A4DGAT1MMP1MMP9

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-2331541-B1 INDOLIZINE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-04-22 EP disclosed
EP-2331541-B1 INDOLIZINE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-04-22 EP disclosed
US-8618300-B2 Indolizine inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-31 US disclosed
US-20110275627-A1 INDOLIZINE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
US-20110275627-A1 INDOLIZINE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
US-20110275627-A1 INDOLIZINE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
EP-2331541-A1 INDOLIZINE INHIBITORS OF LEUKOTRIENE PRODUCTION Boehringer Ingelheim International GmbH (DE) 2011-06-15 EP disclosed
WO-2010027762-A1 INDOLIZINE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed
WO-2010027762-A1 INDOLIZINE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 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-20110275627-A1 INDOLIZINE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTB4R2, LTC4S ALDH1A1 1602/4885CYP3A4 119/4885DGAT1 2758/4885

“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.