SCHEMBL921650

SCHEMBL921650

CCOCCCCCCCOc1c[c]ccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
KCNA3 P22001 1/20 0.39
TSHR P16473 2/20 0.38
LTA4H P09960 2/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
NR5A1 Q13285 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.33
MLNR O43193 1/20 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
SCHEMBL920469 1.00 SMN1; SMN2 (0.40) SMN1; SMN2KCNA3TSHRLTA4HHDAC1
SCHEMBL1712440 1.00 SMN1; SMN2 (0.40) SMN1; SMN2KCNA3TSHRLTA4HHDAC1
SCHEMBL921651 0.98 SMN1; SMN2 (0.41) SMN1; SMN2KCNA3TSHRLTA4HHDAC1
SCHEMBL921605 0.95 SMN1; SMN2 (0.41) SMN1; SMN2KCNA3TSHRLTA4HKDM4E
SCHEMBL920262 0.90 NCF1 (0.39) SMN1; SMN2TSHRLTA4HKDM4EALDH1A1
SCHEMBL8808954 0.88 L3MBTL1 (0.40) SMN1; SMN2TSHRKDM4EALDH1A1
Water SCHEMBL21708767 0.88 L3MBTL1 (0.40) SMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL7284909 0.87 LTA4H (0.41) KCNA3TSHRLTA4HHDAC1HDAC2
SCHEMBL6637821 0.86 DRD2 (0.50) SMN1; SMN2KDM4EALDH1A1POLBDRD2
SCHEMBL6536652 0.86 LTA4H (0.51) SMN1; SMN2KCNA3TSHRLTA4HNR5A1

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 SMN1; SMN2 4796/4885KCNA3 2546/4885TSHR 2588/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 SMN1; SMN2 4604/4885KCNA3 1509/4885TSHR 2777/4885

“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.