SCHEMBL12416758

SCHEMBL12416758

CCOC(=O)c1ccc(/N=C/c2ccc(OC)cc2OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
MAPT P10636 5/20 0.50
GAA P10253 2/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
TNFRSF1A P19438 1/20 0.47
HSD17B2 P37059 1/20 0.47
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45

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
SCHEMBL12416872 0.84 GAA (0.54) CA1CA2MEN1KMT2AMAPT
SCHEMBL12416800 0.81 S100B (0.58) CA1CA2MEN1KMT2AMAPT
SCHEMBL11422906 0.77 EGFR (0.50) CA1CA2MEN1KMT2AMAPT
SCHEMBL11422910 0.77 EGFR (0.50) CA1CA2MEN1KMT2AMAPT
SCHEMBL12416810 0.76 HSD17B2 (0.64) CA1CA2MEN1KMT2AMAPT
SCHEMBL2527913 0.75 MAPT (0.47) CA1CA2MEN1KMT2AMAPT
SCHEMBL2527910 0.75 MAPT (0.47) CA1CA2MEN1KMT2AMAPT
SCHEMBL12416969 0.75 HTT (0.52) MEN1KMT2AMAPTGAANPC1
SCHEMBL12416936 0.75 GAA (0.45) CA1CA2MEN1KMT2AMAPT
SCHEMBL20334347 0.74 EGFR (0.76) CA1CA2KMT2AMAPTGAA

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 CA1 1082/4885CA2 2958/4885MEN1 392/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 CA1 1082/4885CA2 2958/4885MEN1 392/4885

“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.