SCHEMBL12416735

SCHEMBL12416735

CCOC(=O)COc1c(/C=N\c2cccc(C(F)(F)F)c2)cc(Br)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
ALDH1A1 P00352 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
PRNP P04156 1/20 0.41
ALOX12 P18054 1/20 0.41
PTK6 Q13882 1/20 0.40
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
USP2 O75604 2/20 0.38
PTPN1 P18031 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL12416731 0.87 ALDH1A1 (0.62) MAPTALDH1A1CYP1A2CYP2C19GAA
SCHEMBL12416746 0.87 ALDH1A1 (0.67) MAPTALDH1A1CYP1A2CYP2C19GAA
SCHEMBL12416748 0.83 ALDH1A1 (0.67) MAPTALDH1A1CYP1A2CYP2C19GAA
SCHEMBL12416728 0.82 ALDH1A1 (0.66) MAPTALDH1A1CYP1A2CYP2C19GAA
SCHEMBL12416715 0.81 ALDH1A1 (0.65) MAPTALDH1A1CYP1A2CYP2C19GAA
SCHEMBL12416752 0.77 MAPT (1.00) MAPTALDH1A1CYP1A2CYP2C19GAA
SCHEMBL1004367 0.73 ALDH1A1 (0.78) MAPTALDH1A1CYP1A2CYP2C19GAA
SCHEMBL12204824 0.69 MAPT (0.48) MAPTALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL9811728 0.68 KDM4E (0.60) MAPTALDH1A1GAAL3MBTL1KMT2A
SCHEMBL18499134 0.67 MAPT (0.47) MAPTALDH1A1CYP1A2CYP2C19GAA

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 MAPT 3638/4885ALDH1A1 3768/4885CYP1A2 3482/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 MAPT 3638/4885ALDH1A1 3768/4885CYP1A2 3482/4885

“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.