SCHEMBL2905053

SCHEMBL2905053

CC(C)(C)OC(=O)N1CCC(CC(=CC(=O)O)c2cnc3ccccc3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
HPGDS O60760 3/20 0.44
YAP1 P46937 3/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
FAAH O00519 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
CCR3 P51677 1/20 0.41
TGFBR1 P36897 1/20 0.41
KDM2B Q8NHM5 1/20 0.40

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
SCHEMBL2905047 1.00 KDM4E (0.48) KDM4EPKMHPGDSYAP1MEN1
SCHEMBL2905050 1.00 KDM4E (0.48) KDM4EPKMHPGDSYAP1MEN1
SCHEMBL2902476 0.91 KDM4E (0.46) KDM4EPKMHPGDSYAP1MEN1
SCHEMBL2901762 0.91 KDM4E (0.46) KDM4EPKMHPGDSYAP1MEN1
SCHEMBL2901764 0.91 KDM4E (0.46) KDM4EPKMHPGDSYAP1MEN1
SCHEMBL16456979 0.88 CHRNB2 (0.43) KDM4EPKMHPGDSFAAHCHRNB2
SCHEMBL2906679 0.87 KDM4E (0.50) KDM4EPKMHPGDSYAP1MEN1
SCHEMBL4238969 0.86 FAAH (0.48) HPGDSMEN1KMT2AFAAHCHRNB2
SCHEMBL8343817 0.80 KDM2B (0.51) KDM4EPKMHPGDSMEN1KMT2A
SCHEMBL2448063 0.79 FAAH (0.63) KDM4EPKMHPGDSYAP1MEN1

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-2217569-B1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA NV (BE) 2014-04-16 EP claimed
US-8680278-B2 Enantioselective process for preparing a substituted alkanoic acid JANSSEN PHARMACEUTICA NV (BE) 2014-03-25 US claimed
EP-2217569-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP claimed
US-20090124804-A1 Enantioselective process for preparing a substituted alkanoic acid JANSSEN PHARMACEUTICA NV (BE) 2009-05-14 US claimed
WO-2009058314-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 WO claimed
EP-2217569-B1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA NV (BE) 2014-04-16 EP 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-20090124804-A1 Enantioselective process for preparing a substituted alkanoic acid ITGA5, ITGA1, ITGB5 KDM4E 1770/4885PKM 3462/4885HPGDS 864/4885

“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.