SCHEMBL12416869

SCHEMBL12416869

CCOC(=O)c1ccc(/N=C/c2ccc(CC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.56
CA1 P00915 6/20 0.56
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TSHR P16473 1/20 0.52
GAA P10253 1/20 0.52
PTGS2 P35354 2/20 0.50
MAPT P10636 2/20 0.50
PTGS1 P23219 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CA12 O43570 1/20 0.49
ESR1 P03372 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
ESR2 Q92731 1/20 0.49
CA14 Q9ULX7 1/20 0.49
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL12416615 0.89 CA2 (0.72) CA2CA1ALDH1A1HPGDKDM4E
SCHEMBL2535701 0.87 PTPN1 (0.56) CA2CA1ALDH1A1HPGDKDM4E
SCHEMBL2535703 0.87 PTPN1 (0.56) CA2CA1ALDH1A1HPGDKDM4E
SCHEMBL11257648 0.87 CA1 (0.55) CA2CA1ALDH1A1HPGDKDM4E
SCHEMBL2532833 0.87 CA1 (0.71) CA2CA1ALDH1A1HPGDKDM4E
SCHEMBL2532836 0.87 CA1 (0.71) CA2CA1ALDH1A1HPGDKDM4E
SCHEMBL12416800 0.86 S100B (0.58) CA2CA1ALDH1A1HPGDKDM4E
SCHEMBL12416957 0.86 CYP4Z1 (0.50) CA2CA1ALDH1A1HPGDKDM4E
SCHEMBL9436819 0.85 CA2 (0.60) CA2CA1ALDH1A1HPGDKDM4E
SCHEMBL12416819 0.85 CA2 (0.52) CA2CA1ALDH1A1HPGDKDM4E

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 CA2 2958/4885CA1 1082/4885ALDH1A1 3768/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 CA2 2958/4885CA1 1082/4885ALDH1A1 3768/4885

“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.