SCHEMBL919503

SCHEMBL919503

CCC#CCCOc1cc[c]cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.35
CHRNB4 P30926 5/20 0.35
CHRNA3 P32297 5/20 0.35
CHRNA7 P36544 5/20 0.35
CHRNA4 P43681 5/20 0.35
GAA P10253 2/20 0.35
NQO1 P15559 1/20 0.33
LTA4H P09960 3/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR5A1 Q13285 1/20 0.32
KCNA3 P22001 1/20 0.31
MAPT P10636 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
NR1I2 O75469 1/20 0.31

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
SCHEMBL921829 0.91 LTA4H (0.35) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL920642 0.89 LTA4H (0.36) GAANQO1LTA4HALDH1A1KDM4E
SCHEMBL922728 0.82 GAA (0.36) GAANQO1ALDH1A1KCNA3MAPT
SCHEMBL919681 0.82 MTNR1A (0.43) NQO1ALDH1A1KDM4E
SCHEMBL8397156 0.82 CHRNA7 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL920060 0.81 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3845072 0.80 MTNR1A (0.31)
SCHEMBL919855 0.79 MTNR1A (0.31)
SCHEMBL127508 0.77 LTA4H (0.50) NQO1LTA4HALDH1A1KDM4ESMN1; SMN2
SCHEMBL10785918 0.76 KCNA3 (0.43) GAANQO1ALDH1A1KDM4EKCNA3

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-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP 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-20090318610-A1 ORGANIC INSULATING MATERIALS, VARNISHES FOR ORGANIC INSULATING FILM EMPLOYING THEM, ORGANIC INSULATING FILMS AND SEMICONDUCTOR DEVICES SUMITOMO BAKELITE CO., LTD (JP) 2009-12-24 US disclosed
EP-2117009-A1 ORGANIC INSULATING MATERIAL, VARNISH FOR ORGANIC INSULATING FILM USING THE SAME, ORGANIC INSULATING FILM AND SEMICONDUCTOR DEVICE Sumitomo Bakelite Co., Ltd. (JP) 2009-11-11 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 CHRNB2 4823/4885CHRNB4 4840/4885CHRNA3 4503/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 CHRNB2 4501/4885CHRNB4 4638/4885CHRNA3 4264/4885

“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.