SCHEMBL5665730

SCHEMBL5665730

CCCCc1ccc(/N=C/c2ccc(C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.54
CYP2D6 P10635 4/20 0.54
CYP2C9 P11712 4/20 0.54
ALDH1A1 P00352 3/20 0.53
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
CA2 P00918 3/20 0.49
PTGS2 P35354 2/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
PTGS1 P23219 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 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
SCHEMBL5665735 1.00 CYP3A4 (0.54) CYP3A4CYP2D6CYP2C9ALDH1A1GRIN2D
SCHEMBL3620867 0.93 CYP3A4 (0.60) CYP3A4CYP2D6CYP2C9ALDH1A1GRIN2D
SCHEMBL11524101 0.93 CYP3A4 (0.60) CYP3A4CYP2D6CYP2C9ALDH1A1GRIN2D
SCHEMBL6635785 0.93 CYP3A4 (0.60) CYP3A4CYP2D6CYP2C9ALDH1A1GRIN2D
SCHEMBL12416611 0.90 CYP3A4 (0.58) CYP3A4CYP2D6CYP2C9ALDH1A1GRIN2D
SCHEMBL10346503 0.90 CYP3A4 (0.58) CYP3A4CYP2D6CYP2C9ALDH1A1GRIN2D
SCHEMBL10013520 0.90 ALDH1A1 (0.56) CYP3A4CYP2D6CYP2C9ALDH1A1GRIN2D
SCHEMBL1129722 0.89 CYP2C9 (0.55) CYP3A4CYP2D6CYP2C9ALDH1A1GRIN2D
SCHEMBL1129724 0.89 CYP2C9 (0.55) CYP3A4CYP2D6CYP2C9ALDH1A1GRIN2D
SCHEMBL25491825 0.88 ALDH1A1 (0.61) CYP2D6CYP2C9ALDH1A1GRIN2DGRIN3B

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
US-20060188793-A1 Adjustable Transmission Phase Shift Mask LSI LOGIC CORPORATION (US) 2006-08-24 US disclosed
US-7067223-B2 Adjustable transmission phase shift mask LSI LOGIC CORPORATION (US) 2006-06-27 US disclosed
US-20050112478-A1 Adjustable transmission phase shift mask LSI LOGIC CORPORATION 2005-05-26 US disclosed
US-6841308-B1 Adjustable transmission phase shift mask LSI LOGIC CORPORATION (US) 2005-01-11 US disclosed
US-4035060-A Electro-optic device DAINIPPON PRINTING CO., LTD (JA) 1977-07-12 US disclosed
US-3960749-A Liquid-crystal mixtures for use in liquid-crystal displays INTERNATIONAL LIQUID XTAL COMPANY (US) 1976-06-01 US disclosed
US-3944330-A Electro-optic device DAINIPPON PRINTING CO., LTD. (JA) 1976-03-16 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 CYP3A4 1829/4885CYP2D6 3437/4885CYP2C9 3911/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 CYP3A4 1829/4885CYP2D6 3437/4885CYP2C9 3911/4885

“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.