SCHEMBL415679

SCHEMBL415679

CCC1CCCCN(C(=O)OC(C)(C)C)CCCC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.59
EPHX1 P07099 1/20 0.52
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
PREP P48147 2/20 0.47
RECQL P46063 1/20 0.46
NR1H2 P55055 1/20 0.45
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
GPR119 Q8TDV5 1/20 0.43

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
SCHEMBL17229380 0.92 HPGD (0.57) HPGDEPHX1USP2SMN1; SMN2MEN1
SCHEMBL16925474 0.91 HPGD (0.52) HPGDEPHX1MEN1ALDH1A1MAPT
SCHEMBL12082 0.88 HPGD (0.55) HPGDEPHX1USP2SMN1; SMN2MAPT
Ammonia Solution, Strong SCHEMBL7871661 0.87 HPGD (0.54) HPGDEPHX1USP2SMN1; SMN2MAPT
SCHEMBL13059809 0.86 MEN1 (0.56) HPGDEPHX1USP2SMN1; SMN2MEN1
SCHEMBL13059808 0.86 MEN1 (0.56) HPGDEPHX1USP2SMN1; SMN2MEN1
SCHEMBL9974300 0.86 MEN1 (0.56) HPGDEPHX1USP2SMN1; SMN2MEN1
SCHEMBL22765858 0.83 HPGD (0.66) HPGDEPHX1USP2SMN1; SMN2MEN1
SCHEMBL19852378 0.83 HPGD (0.51) HPGDEPHX1MEN1ALDH1A1MAPT
SCHEMBL21142602 0.83 HPGD (0.55) HPGDEPHX1MEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394955-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 US 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-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR0B1, NR1H3, NCOA3 HPGD 580/4885EPHX1 246/4885USP2 4690/4885

“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.