SCHEMBL12416800

SCHEMBL12416800

CCOC(=O)c1ccc(/N=C/c2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.58
KMT2A Q03164 4/20 0.58
MAPT P10636 4/20 0.58
MEN1 O00255 3/20 0.58
GAA P10253 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 1/20 0.58
POLB P06746 1/20 0.58
RAB9A P51151 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
CA2 P00918 5/20 0.57
CA1 P00915 4/20 0.57
ALDH1A1 P00352 2/20 0.56
GFER P55789 1/20 0.53
PTGS2 P35354 4/20 0.52
PTGS1 P23219 2/20 0.52
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52

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
SCHEMBL6567553 0.88 S100B (0.57) S100BKMT2AMAPTMEN1GAA
SCHEMBL12416615 0.86 CA2 (0.72) S100BMAPTGAASMN1; SMN2NPC1
SCHEMBL12416869 0.86 CA2 (0.56) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL11438344 0.86 CA2 (0.76) S100BKMT2AMAPTMEN1GAA
SCHEMBL11438347 0.86 CA2 (0.76) S100BKMT2AMAPTMEN1GAA
SCHEMBL13038181 0.86 CA2 (0.76) S100BKMT2AMAPTMEN1GAA
SCHEMBL12416875 0.86 PRSS1 (0.51) KMT2AMAPTGAASMN1; SMN2CA2
SCHEMBL10611991 0.85 MAPT (0.53) S100BKMT2AMAPTMEN1GAA
SCHEMBL2535701 0.85 PTPN1 (0.56) KMT2AMAPTMEN1GAASMN1; SMN2
SCHEMBL2535703 0.85 PTPN1 (0.56) KMT2AMAPTMEN1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 US disclosed
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 US disclosed
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-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
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 (2 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 S100B 4126/4885KMT2A 2278/4885MAPT 3638/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 S100B 4126/4885KMT2A 2278/4885MAPT 3638/4885

“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.