SCHEMBL12416770

SCHEMBL12416770

COc1ccc(/N=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.56
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 1/20 0.54
MAPT P10636 7/20 0.53
PRSS1 P07477 2/20 0.53
ACR P10323 2/20 0.53
GFER P55789 1/20 0.53
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
MEN1 O00255 5/20 0.52
NPSR1 Q6W5P4 2/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 2/20 0.50
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
ALOX12 P18054 2/20 0.47
MAPK1 P28482 1/20 0.46
HTT P42858 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
SCHEMBL31550546 0.87 KMT2A (0.67) KMT2AKDM4EMAPTPRSS1ACR
SCHEMBL25491812 0.87 KMT2A (0.67) KMT2AKDM4EMAPTPRSS1ACR
SCHEMBL25500939 0.86 KMT2A (0.64) KMT2AALDH1A1KDM4EMAPTPRSS1
SCHEMBL25490692 0.81 PRSS1 (0.58) KMT2AKDM4EMAPTPRSS1ACR
SCHEMBL25491838 0.80 KMT2A (0.56) KMT2AALDH1A1KDM4EMAPTPRSS1
SCHEMBL26040078 0.79 CA2 (0.56) KMT2AALDH1A1KDM4EMAPTPRSS1
SCHEMBL25500940 0.77 KMT2A (0.56) KMT2AALDH1A1KDM4EMAPTPRSS1
SCHEMBL12416773 0.76 KMT2A (0.52) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL26374903 0.76 KMT2A (0.65) KMT2AALDH1A1HPGDMAPTPRSS1
SCHEMBL17301260 0.76 KMT2A (0.64) KMT2AALDH1A1KDM4EHPGDMAPT

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 KMT2A 2278/4885ALDH1A1 3768/4885KDM4E 3451/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 KMT2A 2278/4885ALDH1A1 3768/4885KDM4E 3451/4885

“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.