SCHEMBL924068

SCHEMBL924068

CC/C=C/c1cccc(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.53
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
P4HB P07237 13/20 0.47
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 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
SCHEMBL924069 1.00 FBP1 (0.53) FBP1PDCD1CD274P4HBGRIN2D
SCHEMBL920740 0.86 FBP1 (0.50) FBP1PDCD1CD274P4HBGRIN2D
SCHEMBL920739 0.86 FBP1 (0.50) FBP1PDCD1CD274P4HBGRIN2D
SCHEMBL712358 0.83 FBP1 (0.48) FBP1PDCD1CD274P4HBGRIN2D
SCHEMBL712359 0.83 FBP1 (0.48) FBP1PDCD1CD274P4HBGRIN2D
SCHEMBL921088 0.83 FBP1 (0.48) FBP1PDCD1CD274P4HBGRIN2D
SCHEMBL16619152 0.83 PDCD1 (0.50) FBP1PDCD1CD274P4HBGRIN2D
SCHEMBL1687910 0.82 FBP1 (0.65) FBP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL2774364 0.82 FBP1 (0.65) FBP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL6165260 0.82 FBP1 (0.53) FBP1PDCD1CD274P4HBGRIN2D

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2984055-B1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA INC (US) 2018-10-17 EP disclosed
US-9758445-B2 Preparation of surfactants via cross-metathesis MATERIA, INC. (US) 2017-09-12 US disclosed
US-9663459-B2 Preparation of surfactants via cross-metathesis MATERIA, INC. (US) 2017-05-30 US disclosed
US-20160186094-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. 2016-06-30 US disclosed
US-20160145204-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. 2016-05-26 US disclosed
EP-2984055-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS Materia, Inc. (US) 2016-02-17 EP disclosed
WO-2015126462-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. (US) 2015-08-27 WO disclosed
WO-2014169080-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. (US) 2014-10-16 WO disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-7169786-B2 Isoxazoline derivatives as anti-depressants JANSSEN-CILAG S.A. (ES) 2007-01-30 US disclosed
US-7169786-B2 Isoxazoline derivatives as anti-depressants JANSSEN-CILAG S.A. (ES) 2007-01-30 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 (3 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 FBP1 181/4885PDCD1 2278/4885CD274 4411/4885
US-20160186094-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS SMURF2, EPHX2, SMURF1 FBP1 2094/4885PDCD1 4331/4885CD274 4651/4885
US-20160145204-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS SMURF2, SMURF1, ABCB4 FBP1 2703/4885PDCD1 3655/4885CD274 3885/4885

“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.