SCHEMBL9507577

SCHEMBL9507577

COc1cc(-c2ccc(/N=C/c3ccccc3)c(OC)c2)ccc1/N=C/c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 2/20 0.54
RORC P51449 1/20 0.50
ALDH1A1 P00352 6/20 0.47
CYP3A4 P08684 3/20 0.47
HPGD P15428 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 4/20 0.44
KDM4E B2RXH2 4/20 0.44
CYP1A2 P05177 3/20 0.44
GAA P10253 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 2/20 0.44
CYP2D6 P10635 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL9507584 1.00 CYP1B1 (0.54) CYP1B1RORCALDH1A1CYP3A4HPGD
SCHEMBL11404198 0.85 CYP1B1 (0.65) CYP1B1RORCALDH1A1CYP3A4HPGD
SCHEMBL1643202 0.82 ALDH1A1 (0.48) CYP1B1ALDH1A1HPGDMAPTKDM4E
SCHEMBL1643205 0.82 ALDH1A1 (0.48) CYP1B1ALDH1A1HPGDMAPTKDM4E
SCHEMBL28610776 0.82 ALDH1A1 (0.48) CYP1B1ALDH1A1HPGDMAPTKDM4E
SCHEMBL5484284 0.78 CA2 (0.50) RORCALDH1A1HPGDMAPTKDM4E
SCHEMBL5484286 0.78 CA2 (0.50) RORCALDH1A1HPGDMAPTKDM4E
SCHEMBL10766481 0.77 CYP1B1 (0.45) CYP1B1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL27984216 0.75 NFE2L2 (0.54) CYP1B1ALDH1A1HPGDMAPTKDM4E
SCHEMBL30633421 0.74 SMN1; SMN2 (0.41) CYP1B1ALDH1A1HPGDMAPTKDM4E

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 13 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
EP-0205083-B1 IMAGE FORMING METHOD AND TRANSFER RECORDING MEDIUM THEREFOR CANON KABUSHIKI KAISHA (JP) 1993-09-01 EP disclosed
EP-0261394-B1 IMAGE RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 1993-08-11 EP disclosed
US-5015552-A Multilayer optical image recording process involving crosslinking, treatment with heat or light, transferring CANON KABUSHIKI KAISHA (JP) 1991-05-14 US disclosed
US-5005028-A Image forming method and transfer recording medium therefor CANON KABUSHIKI KAISHA (JP) 1991-04-02 US disclosed
US-4990931-A Image forming method and apparatus therefor CANON KABUSHIKI KAISHA (JP) 1991-02-05 US disclosed
US-4978968-A Image recording apparatus CANON KABUSHIKI KAISHA (JP) 1990-12-18 US disclosed
EP-0205083-A2 Image forming method and transfer recording medium therefor CANON KABUSHIKI KAISHA (JP) 1986-12-17 EP 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 CYP1B1 4007/4885RORC 2385/4885ALDH1A1 3768/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 CYP1B1 4007/4885RORC 2385/4885ALDH1A1 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.