SCHEMBL13003189

SCHEMBL13003189

CCCCC1CC(=O)N(O)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.37
ALDH1A1 P00352 3/20 0.35
CYP2C9 P11712 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 4/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PTGS1 P23219 1/20 0.33
RAB9A P51151 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
CYP19A1 P11511 2/20 0.32
TLR4 O00206 1/20 0.32
PPARG P37231 1/20 0.32
GBA1 P04062 1/20 0.32

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
SCHEMBL1758179 0.95 CYP1A2 (0.38) ALDH1A1CYP2C9MEN1KMT2ACYP1A2
SCHEMBL9181452 0.93 CYP1A2 (0.40) ALDH1A1CYP2C9MEN1KMT2ACYP1A2
SCHEMBL27576345 0.93 CYP1A2 (0.40) ALDH1A1CYP2C9MEN1KMT2ACYP1A2
SCHEMBL15264476 0.89 KMT2A (0.33) ALDH1A1KMT2ACYP2C19
SCHEMBL25215380 0.81 ACE (0.34)
SCHEMBL8228528 0.80 CYP2C19 (0.44) ALDH1A1CYP2C19
SCHEMBL7128299 0.79 SIGMAR1 (0.32)
SCHEMBL6598017 0.78 ELANE (0.33) ELANEALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5690985 0.76 CYP19A1 (0.50) ELANEALDH1A1MEN1KMT2ATP53
SCHEMBL7626957 0.76 LMNA (0.39) MEN1KMT2ALMNAMAPK1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317869-A1 IMMOBILIZED CYCLIC IMIDE CATALYST AND PROCESS FOR OXIDATION OF ORGANIC COMPOUNDS WITH THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-16 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-20100317869-A1 IMMOBILIZED CYCLIC IMIDE CATALYST AND PROCESS FOR OXIDATION OF ORGANIC COMPOUNDS WITH THE SAME AOC2, NOXO1, NOX1 ELANE 2945/4885ALDH1A1 511/4885CYP2C9 284/4885

“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.