SCHEMBL12416748

SCHEMBL12416748

CCOC(=O)COc1c(/C=N\c2ccc(C)cc2)cc(Br)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C19 P33261 1/20 0.67
GAA P10253 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTK6 Q13882 1/20 0.45
PRNP P04156 1/20 0.44
ALOX12 P18054 1/20 0.44
PTPN1 P18031 1/20 0.42
USP2 O75604 1/20 0.41
POLB P06746 2/20 0.39
PABPC1 P11940 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
EGFR P00533 1/20 0.39
ERN1 O75460 1/20 0.38

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
SCHEMBL12416728 0.93 ALDH1A1 (0.66) ALDH1A1CYP1A2CYP2C19GAAL3MBTL1
SCHEMBL12416715 0.92 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP2C19GAAL3MBTL1
SCHEMBL12416746 0.92 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP2C19GAAL3MBTL1
SCHEMBL12416731 0.86 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C19GAAL3MBTL1
SCHEMBL12416735 0.83 MAPT (0.62) ALDH1A1CYP1A2CYP2C19GAAL3MBTL1
SCHEMBL1004367 0.79 ALDH1A1 (0.78) ALDH1A1CYP1A2CYP2C19GAAL3MBTL1
SCHEMBL12416727 0.76 MAPT (0.66) MAPTMEN1KMT2APTK6ERN1
SCHEMBL5106323 0.69 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP2C19GAAL3MBTL1
SCHEMBL16784831 0.68 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP2C19GAAL3MBTL1
SCHEMBL17538707 0.68 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP2C19GAAL3MBTL1

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 ALDH1A1 3768/4885CYP1A2 3482/4885CYP2C19 4399/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 ALDH1A1 3768/4885CYP1A2 3482/4885CYP2C19 4399/4885

“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.