SCHEMBL4094072

SCHEMBL4094072

CCOC(=O)[C@@]1(C)CCCN(c2ccc([N+](=O)[O-])c(OC)c2)C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
LMNA P02545 4/20 0.58
MAPT P10636 10/20 0.53
SIRT6 Q8N6T7 2/20 0.51
HPGD P15428 1/20 0.41
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR6 P50406 1/20 0.38
DCTPP1 Q9H773 1/20 0.38

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
SCHEMBL4094079 1.00 ALDH1A1 (0.58) ALDH1A1LMNAMAPTSIRT6HPGD
SCHEMBL4094612 0.87 ALDH1A1 (0.65) ALDH1A1LMNAMAPTSIRT6HPGD
SCHEMBL4094609 0.87 ALDH1A1 (0.65) ALDH1A1LMNAMAPTSIRT6HPGD
SCHEMBL4094639 0.86 ALDH1A1 (0.63) ALDH1A1LMNAMAPTSIRT6HPGD
SCHEMBL4094634 0.86 ALDH1A1 (0.63) ALDH1A1LMNAMAPTSIRT6HPGD
SCHEMBL14636531 0.83 MAPT (0.58) ALDH1A1LMNAMAPTKMT2AL3MBTL1
SCHEMBL29788578 0.76 ALDH1A1 (1.00) ALDH1A1LMNAMAPTSIRT6HPGD
SCHEMBL6367942 0.76 ALDH1A1 (1.00) ALDH1A1LMNAMAPTSIRT6HPGD
SCHEMBL12840924 0.75 LMNA (0.77) ALDH1A1LMNAMAPTSIRT6HPGD
SCHEMBL2205195 0.74 ALDH1A1 (0.97) ALDH1A1LMNAMAPTSIRT6HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
EP-1784392-A2 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2007-05-16 EP disclosed
WO-2006021454-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2006-03-02 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-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS ALDH1A1 731/4885LMNA 4042/4885MAPT 2244/4885

“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.