SCHEMBL12416671

SCHEMBL12416671

CCCCCCOc1ccc(/N=C/c2ccc(C#N)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 3/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP19A1 P11511 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NR5A1 Q13285 1/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL28279963 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL4541633 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL12416639 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL12416687 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL11425348 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL11769988 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL3082828 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL12416623 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL12416641 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL269185 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHTTL3MBTL1

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 ALDH1A1 3768/4885KDM4E 3451/4885HPGD 4043/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 ALDH1A1 3768/4885KDM4E 3451/4885HPGD 4043/4885

“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.