SCHEMBL921067

SCHEMBL921067

C#CCCCCCOc1c[c]ccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.40
MAOA P21397 6/20 0.40
KCNA3 P22001 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
ABCG2 Q9UNQ0 2/20 0.33

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
SCHEMBL920618 0.98 MAOB (0.40) MAOBMAOAKCNA3HDAC3HDAC4
SCHEMBL919678 0.93 MAOB (0.39) MAOBMAOAKCNA3HDAC3HDAC4
SCHEMBL919590 0.88 KCNA3 (0.33) MAOBMAOAKCNA3ALDH1A1CA12
SCHEMBL919125 0.81 MAOB (0.44) MAOBMAOAKCNA3HDAC3HDAC4
SCHEMBL920458 0.80 KCNA3 (0.43) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL919873 0.80 KCNA3 (0.43) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL918928 0.80 KCNA3 (0.43) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL920048 0.79 KCNA3 (0.37) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL920287 0.79 MAOB (0.45) MAOBMAOAKCNA3CA12CA9
SCHEMBL7214530 0.79 KCNA3 (0.64) MAOBMAOAKCNA3HDAC3HDAC4

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 4 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

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 MAOB 3730/4885MAOA 3447/4885KCNA3 2546/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 MAOB 4351/4885MAOA 4535/4885KCNA3 1509/4885

“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.