SCHEMBL1269419

SCHEMBL1269419

CC1CCC(C)(CO)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
EPHX1 P07099 1/20 0.40
CYP1A2 P05177 1/20 0.32
CYP19A1 P11511 1/20 0.31

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
SCHEMBL19706871 1.00 KDM4E (0.42) KDM4EPKMEPHX1CYP1A2CYP19A1
SCHEMBL26196760 0.81 EPHX1 (0.42) EPHX1CYP19A1
SCHEMBL898237 0.81 KDM4E (0.44) KDM4EPKMEPHX1CYP1A2
SCHEMBL1269340 0.80 KDM4E (0.36) KDM4EPKM
SCHEMBL23459151 0.77 EPHX1 (0.39) EPHX1CYP19A1
SCHEMBL11127988 0.77 EPHX1 (0.39) EPHX1CYP19A1
SCHEMBL351946 0.77 EPHX1 (0.39) EPHX1CYP19A1
SCHEMBL31509293 0.77 KDM4E (0.34) KDM4EPKM
SCHEMBL14609318 0.77 KDM4E (0.46) KDM4EPKMEPHX1
SCHEMBL31303847 0.76 EPHX1 (0.53) EPHX1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952169-B2 N-substituted benzamides and methods of use thereof XENON PHARMACEUTICALS INC. (CA) 2015-02-10 US disclosed
US-20140148623-A1 FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES DANISCO US INC. (US) 2014-05-29 US disclosed
US-20140148623-A1 FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES DANISCO US INC. (US) 2014-05-29 US disclosed
US-20140148623-A1 FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES DANISCO US INC. (US) 2014-05-29 US disclosed
US-8450549-B2 Fuel compositions comprising isoprene derivatives DANISCO US INC. (US) 2013-05-28 US disclosed
US-8450549-B2 Fuel compositions comprising isoprene derivatives DANISCO US INC. (US) 2013-05-28 US disclosed
US-8450549-B2 Fuel compositions comprising isoprene derivatives DANISCO US INC. (US) 2013-05-28 US disclosed
EP-2448891-A1 FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES Danisco US Inc. (US) 2012-05-09 EP disclosed
US-20110046422-A1 FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES DANISCO US INC. 2011-02-24 US disclosed
US-20110046422-A1 FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES DANISCO US INC. 2011-02-24 US disclosed
US-20110046422-A1 FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES DANISCO US INC. 2011-02-24 US disclosed
WO-2010148256-A1 FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES DANISCO US INC. (US) 2010-12-23 WO disclosed
WO-2010148256-A1 FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES DANISCO US INC. (US) 2010-12-23 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-20110046422-A1 FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES GGPS1, FNTA, COASY KDM4E 2729/4885PKM 1546/4885EPHX1 290/4885

“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.