SCHEMBL12829008

SCHEMBL12829008

CC(C)c1ccc(N(C)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
EGFR P00533 1/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
KDR P35968 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
OGA O60502 1/20 0.42
CYP2D6 P10635 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41

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
SCHEMBL16340696 0.81 EGFR (0.51) MEN1KMT2AEGFRPDGFRBPDGFRA
SCHEMBL16340275 0.81 HPGD (0.54) MEN1KMT2AEGFRPDGFRBPDGFRA
SCHEMBL70200 0.79 MEN1 (0.55) MEN1KMT2ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL22681635 0.77 EGFR (0.48) EGFRPDGFRBPDGFRAKDRADRA2A
SCHEMBL5431004 0.76 DHFR (0.46) SMN1; SMN2ALDH1A1CYP2D6CYP3A4CYP2C9
SCHEMBL18589838 0.76 CA12 (0.51) MEN1KMT2ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL5305710 0.76 HPGD (0.45) MEN1KMT2AEGFRPDGFRBPDGFRA
SCHEMBL14848909 0.75 ADRA2A (0.65) EGFRPDGFRBPDGFRAKDRSMN1; SMN2
SCHEMBL1254036 0.75 NPC1 (0.51) MEN1KMT2AEGFRPDGFRBPDGFRA
SCHEMBL22681756 0.75 KCNH2 (0.42) EGFRPDGFRAKDRADRA2AADRA2B

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-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 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-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 MEN1 392/4885KMT2A 2278/4885EGFR 109/4885

“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.