SCHEMBL12416936

SCHEMBL12416936

CCOC(=O)c1ccc(/N=C/c2ccccc2Oc2ccc(F)c(F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 6/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
F2 P00734 1/20 0.41
HIF1A Q16665 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL12416969 0.86 HTT (0.52) GAAHTTALDH1A1HPGDKDM4E
SCHEMBL12416872 0.80 GAA (0.54) GAAHTTALDH1A1HPGDKDM4E
SCHEMBL12416953 0.78 LMNA (0.45) HTTALDH1A1HPGDMAPTLMNA
SCHEMBL2532042 0.76 ALDH1A1 (0.51) GAAHTTRECQLALDH1A1HPGD
SCHEMBL2532043 0.76 ALDH1A1 (0.51) GAAHTTRECQLALDH1A1HPGD
SCHEMBL28794416 0.75 TSHR (0.53) GAAHTTRECQLALDH1A1KDM4E
SCHEMBL12416758 0.75 CA1 (0.57) GAAALDH1A1HPGDKDM4ETSHR
SCHEMBL2530129 0.75 GAA (0.46) GAAHTTRECQLALDH1A1HPGD
SCHEMBL2530131 0.75 GAA (0.46) GAAHTTRECQLALDH1A1HPGD
SCHEMBL2544692 0.74 GAA (0.55) GAAHTTRECQLALDH1A1HPGD

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 GAA 4408/4885HTT 2034/4885RECQL 4027/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 GAA 4408/4885HTT 2034/4885RECQL 4027/4885

“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.