SCHEMBL920804

SCHEMBL920804

C=CCCCOc1c[c]ccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KCNA3 P22001 1/20 0.36
ESR1 P03372 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 1/20 0.33
ALDH2 P05091 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
HPGD P15428 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 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
SCHEMBL920237 0.95 ALDH1A1 (0.41) ALDH1A1L3MBTL1KCNA3KDM4EMEN1
SCHEMBL920411 0.93 ALDH1A1 (0.40) ALDH1A1L3MBTL1KCNA3KDM4EMEN1
SCHEMBL920685 0.91 KDM4E (0.37) ALDH1A1L3MBTL1KCNA3KDM4EMEN1
SCHEMBL5704638 0.81 KCNA3 (0.42) ALDH1A1KCNA3KDM4ESMN1; SMN2THRB
SCHEMBL910954 0.80 MEN1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL919946 0.80 KCNA3 (0.34) KCNA3SMN1; SMN2HDAC1HDAC2HTR1B
SCHEMBL919948 0.80 KCNA3 (0.34) KCNA3SMN1; SMN2HDAC1HDAC2HTR1B
SCHEMBL28060053 0.79 THRB (0.36) KCNA3THRB
SCHEMBL920744 0.79 LTA4H (0.34) ALDH1A1KCNA3TDP1HTR1BLTA4H
SCHEMBL920745 0.79 LTA4H (0.34) ALDH1A1KCNA3TDP1HTR1BLTA4H

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 ALDH1A1 2743/4885L3MBTL1 1292/4885KCNA3 2546/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 ALDH1A1 4326/4885L3MBTL1 779/4885KCNA3 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.