SCHEMBL1315228

SCHEMBL1315228

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.50
CYP4A11 Q02928 3/20 0.50
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.36
PKM P14618 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
HTT P42858 1/20 0.33
SOAT1 P35610 1/20 0.33
PIN1 Q13526 1/20 0.33
MMP8 P22894 1/20 0.33
OPRK1 P41145 1/20 0.32

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
SCHEMBL18541186 0.96 CYP4F2 (0.50) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL444076 0.80 CYP4F2 (0.63) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL19929704 0.80 CYP4F2 (0.38) CYP4F2CYP4A11
SCHEMBL6733638 0.80 MEN1 (0.52) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL379262 0.79 MEN1 (0.50) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL17212019 0.79 MEN1 (0.41) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL13622353 0.79 MEN1 (0.41) CYP4F2CYP4A11MEN1KMT2AALDH1A1
Ammonia Solution, Strong SCHEMBL376169 0.78 MEN1 (0.50) CYP4F2CYP4A11MEN1KMT2AALDH1A1
Ammonia Solution, Strong SCHEMBL49875 0.78 CYP4F2 (0.61) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL11001997 0.78 CYP4F2 (0.61) CYP4F2CYP4A11MEN1KMT2AALDH1A1

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 CYP4F2 379/4885CYP4A11 44/4885MEN1 1533/4885

“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.