SCHEMBL12416602

SCHEMBL12416602

COc1ccc(/C=N/c2ccc(/C=C/C(=O)O)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.73
ATM Q13315 1/20 0.73
S100B P04271 1/20 0.63
F3 P13726 2/20 0.57
PTGS2 P35354 3/20 0.56
PTGS1 P23219 1/20 0.56
CA12 O43570 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
GSK3B P49841 2/20 0.54
BACE1 P56817 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
BCHE P06276 1/20 0.52
CYP3A4 P08684 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 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
SCHEMBL4330111 1.00 THRB (0.73) THRBATMS100BF3PTGS2
SCHEMBL13476143 0.88 S100B (0.63) THRBATMS100BF3PTGS2
SCHEMBL21166344 0.87 THRB (0.53) THRBATMS100BPTGS2PTGS1
4-Methoxycinnamic Acid SCHEMBL58699 0.86 THRB (1.00) THRBATMF3PTGS2GSK3B
4-Methoxycinnamic Acid SCHEMBL58700 0.86 THRB (1.00) THRBATMF3PTGS2GSK3B
4-Methoxycinnamic Acid SCHEMBL12473722 0.86 THRB (1.00) THRBATMF3PTGS2GSK3B
SCHEMBL9556747 0.85 NPC1 (0.56) THRBATMNPC1RAB9AALDH1A1
4-Methoxycinnamic Acid SCHEMBL5330596 0.84 THRB (0.96) THRBATMF3PTGS2GSK3B
4-Methoxycinnamic Acid SCHEMBL10935651 0.84 THRB (0.96) THRBATMF3PTGS2GSK3B
4-Methoxycinnamic Acid SCHEMBL8500105 0.84 THRB (0.96) THRBATMF3PTGS2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209748-A1 METAL ORGANIC LIQUID CRYSTAL DYES Gauzy Ltd (IL) 2017-08-30 EP 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-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
WO-2008094319-A2 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYTEM (US) 2008-08-07 WO 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 THRB 1013/4885ATM 1566/4885S100B 4126/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 THRB 1013/4885ATM 1566/4885S100B 4126/4885

“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.