SCHEMBL12416829

SCHEMBL12416829

CC(C)(C)c1cc(/N=C/c2ccccc2O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
ALOX5 P09917 2/20 0.49
PTGS2 P35354 2/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
MAPT P10636 5/20 0.48
GAA P10253 5/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 4/20 0.48
PKM P14618 3/20 0.48
MEN1 O00255 2/20 0.48
ALOX15 P16050 3/20 0.47
ALOX12 P18054 3/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 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
SCHEMBL28068440 0.84 CA12 (0.48) CA12CA2CA9ALOX5PTGS2
SCHEMBL14337265 0.83 PTGS2 (0.47) CA12CA2CA9ALOX5PTGS2
SCHEMBL18859066 0.81 ALOX5 (0.57) CA12CA2CA9ALOX5PTGS2
SCHEMBL1228536 0.81 ALOX5 (0.57) CA12CA2CA9ALOX5PTGS2
SCHEMBL29583508 0.81 ALOX5 (0.57) CA12CA2CA9ALOX5PTGS2
SCHEMBL1228538 0.81 ALOX5 (0.57) CA12CA2CA9ALOX5PTGS2
SCHEMBL12416805 0.81 MAPT (0.53) CA12MAPTGAAKDM4EALDH1A1
SCHEMBL1229792 0.80 ALOX5 (0.56) CA12CA2CA9ALOX5PTGS2
Hydrochloric Acid SCHEMBL22653280 0.79 ALOX5 (0.55) CA12CA2CA9ALOX5PTGS2
SCHEMBL14337334 0.79 CA2 (0.41) CA2ALOX5PTGS2MAPTGAA

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 CA12 1940/4885CA2 2958/4885CA9 2391/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 CA12 1940/4885CA2 2958/4885CA9 2391/4885

“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.