SCHEMBL20134288

SCHEMBL20134288

CC(CCCCNCCC(C)(C)C)CCNCCO

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 2/20 0.30
TP53 P04637 1/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7963768 0.78 GSR (0.35) ALDH1A1KDM4E
SCHEMBL11020293 0.77 TSHR (0.38) ALDH1A1ALOX15MEN1CYP3A4KMT2A
SCHEMBL19841951 0.77 LMNA (0.39) ALDH1A1KDM4ELMNAALOX15TP53
SCHEMBL22891226 0.76 LMNA (0.37) ALDH1A1LMNAALOX15MEN1CYP3A4
SCHEMBL13912971 0.76 TDP1 (0.38) ALDH1A1KDM4ELMNAALOX15TP53
Hydrochloric Acid SCHEMBL6893639 0.75 GSR (0.37) ALDH1A1KDM4E
SCHEMBL19841913 0.75 PAOX (0.37) ALDH1A1LMNAALOX15TP53MEN1
SCHEMBL23080315 0.75 ALDH1A1 (0.36) ALDH1A1KDM4ELMNAALOX15TP53
SCHEMBL6119034 0.74 ALDH1A1 (0.40) ALDH1A1LMNAMEN1CYP3A4KMT2A
SCHEMBL11501644 0.74 LMNA (0.52) ALDH1A1LMNAALOX15MEN1CYP3A4

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-20180125826-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (JP) 2018-05-10 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-20180125826-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C ALDH1A1 1382/4885KDM4E 2545/4885LMNA 2730/4885

“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.