SCHEMBL13633145

SCHEMBL13633145

CCOC(=O)N(CCC(C)(C)C)CCC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TRPA1 O75762 1/20 0.37
LMNA P02545 3/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL14201256 0.94 CA12 (0.36) ALDH1A1TRPA1LMNAHSD17B10CYP4F2
SCHEMBL14200244 0.92 ALDH1A1 (0.34) ALDH1A1TRPA1LMNAHSD17B10CYP4F2
SCHEMBL14201257 0.91 CA12 (0.40) ALDH1A1TRPA1CYP4F2CYP4A11MEN1
SCHEMBL14200277 0.90 ALDH1A1 (0.33) ALDH1A1TRPA1LMNAHSD17B10CYP4F2
SCHEMBL14200284 0.88 MMP8 (0.34) ALDH1A1
SCHEMBL14200270 0.86 CA12 (0.36) ALDH1A1TRPA1CYP4F2CYP4A11
SCHEMBL11246985 0.84 ALOX15 (0.37) ALDH1A1TRPA1LMNAHSD17B10CYP4F2
SCHEMBL14200280 0.83 ALDH1A1 (0.31) ALDH1A1LMNAHSD17B10
SCHEMBL14200279 0.79 ALOX5 (0.35) ALDH1A1LMNATHRB
SCHEMBL12207794 0.79 MEN1 (0.32) LMNAHSD17B10MEN1KMT2A

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-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 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-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 ALDH1A1 1390/4885TRPA1 939/4885LMNA 3030/4885

“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.