SCHEMBL1312804

SCHEMBL1312804

CCOC(=O)C(C)(C)CC#CC(=O)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.31
SOAT1 P35610 1/20 0.31
MMP8 P22894 1/20 0.30
PKM P14618 1/20 0.30
FKBP1A P62942 2/20 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
SCHEMBL1312876 0.94 CYP4F2 (0.36) CYP4F2CYP4A11MEN1KMT2AFKBP1A
SCHEMBL1313439 0.94 ALDH1A1 (0.37) CYP4F2CYP4A11MEN1KMT2AFKBP1A
SCHEMBL1315266 0.93 ALDH1A1 (0.39) CYP4F2CYP4A11MEN1KMT2AFKBP1A
SCHEMBL1313228 0.80 CYP4F2 (0.42) CYP4F2CYP4A11MEN1KMT2AGAA
SCHEMBL1265697 0.74 CYP4F2 (0.46) CYP4F2CYP4A11MEN1KMT2AGAA
SCHEMBL6893301 0.74 CYP4F2 (0.46) CYP4F2CYP4A11MEN1KMT2AGAA
SCHEMBL1316123 0.74 CYP4F2 (0.40) CYP4F2CYP4A11MEN1KMT2AMMP8
SCHEMBL1313060 0.72 CYP4F2 (0.47) CYP4F2CYP4A11MEN1KMT2AGAA
SCHEMBL12121681 0.71 CYP4F2 (0.43) CYP4F2CYP4A11MEN1KMT2AGAA
SCHEMBL1313078 0.71 CYP4F2 (0.37) CYP4F2CYP4A11MEN1KMT2AGAA

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 44/4885MEN1 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.