SCHEMBL1312876

SCHEMBL1312876

CCOC(=O)C(C)(C)CC#CC(=O)C1CCC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
ALDH1A1 P00352 4/20 0.34
FKBP1A P62942 2/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL1313439 0.97 ALDH1A1 (0.37) CYP4F2CYP4A11ALDH1A1FKBP1AMEN1
SCHEMBL1315266 0.96 ALDH1A1 (0.39) CYP4F2CYP4A11ALDH1A1FKBP1AMEN1
SCHEMBL1312804 0.94 CYP4F2 (0.38) CYP4F2CYP4A11FKBP1AMEN1KMT2A
SCHEMBL1313228 0.78 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1MEN1KMT2A
SCHEMBL12121686 0.73 CYP4F2 (0.41) CYP4F2CYP4A11ALDH1A1FKBP1AMEN1
SCHEMBL6893301 0.72 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1MEN1KMT2A
SCHEMBL1265697 0.72 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1MEN1KMT2A
SCHEMBL1316123 0.72 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1MEN1KMT2A
SCHEMBL12121692 0.70 ALDH1A1 (0.41) CYP4F2CYP4A11ALDH1A1FKBP1AMEN1
SCHEMBL1313060 0.70 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1MEN1KMT2A

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 6 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
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 44/4885ALDH1A1 1602/4885

“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.