SCHEMBL16730101

SCHEMBL16730101

COCC(C)NC(=O)CC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 5/20 0.41
HTT P42858 2/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL13912219 0.78 LMNA (0.44) LMNAALDH1A1HPGDHTTRAB9A
SCHEMBL17833384 0.78 LMNA (0.44) LMNAALDH1A1HPGDHTTRAB9A
SCHEMBL6359867 0.78 MMP1 (0.45) ALDH1A1HPGDHTTRAB9AMEN1
SCHEMBL22820158 0.78 CNR2 (0.39) ALDH1A1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL17833383 0.78 LMNA (0.44) LMNAALDH1A1HPGDHTTRAB9A
SCHEMBL22280301 0.77 PIK3CD (0.40) HPGDHTTRAB9AMEN1KMT2A
SCHEMBL13253317 0.76 MLYCD (0.40) LMNAALDH1A1HTTMEN1KMT2A
SCHEMBL19751528 0.75 REN (0.34) LMNAHPGDRAB9AMEN1KMT2A
SCHEMBL7890623 0.74 MEN1 (0.43) ALDH1A1HPGDHTTRAB9AMEN1
SCHEMBL22928949 0.74 ALDH1A1 (0.44) LMNAALDH1A1HPGDHTTRAB9A

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-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 US disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 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-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES DPYD, TYMS, DHFR LMNA 4660/4885ALDH1A1 125/4885HPGD 267/4885

“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.