SCHEMBL920772

SCHEMBL920772

C=CCCCOc1cc[c]cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KCNA3 P22001 1/20 0.37
ESR1 P03372 1/20 0.37
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
THRB P10828 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
ALDH2 P05091 1/20 0.31
MAOA P21397 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
SCHEMBL921787 0.94 ALDH1A1 (0.49) ALDH1A1L3MBTL1KCNA3ESR1HTT
SCHEMBL6928402 0.92 ALDH1A1 (0.47) ALDH1A1L3MBTL1KCNA3HTTHPGD
SCHEMBL920629 0.92 ALDH1A1 (0.47) ALDH1A1L3MBTL1KCNA3HTTHPGD
SCHEMBL920853 0.90 ALDH1A1 (0.43) ALDH1A1L3MBTL1KCNA3HTTHPGD
SCHEMBL27833683 0.80 ALDH1A1 (0.39) ALDH1A1L3MBTL1KCNA3HPGDKDM4E
SCHEMBL10842357 0.79 KCNA3 (0.38) ALDH1A1L3MBTL1KCNA3HTTHPGD
SCHEMBL7980722 0.79 ALDH1A1 (0.62) ALDH1A1L3MBTL1KCNA3KDM4ESMN1; SMN2
SCHEMBL8553182 0.79 L3MBTL1 (0.61) ALDH1A1L3MBTL1KCNA3HTTHDAC1
SCHEMBL920804 0.78 ALDH1A1 (0.45) ALDH1A1L3MBTL1KCNA3ESR1HPGD
SCHEMBL10785918 0.78 KCNA3 (0.43) ALDH1A1KCNA3KDM4EHDAC1HDAC2

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
EP-0460496-B1 Tetra-amino-anthraquinone dyes BASF AG (DE) 1994-11-30 EP disclosed
EP-0460496-A1 Tetra-amino-anthraquinone dyes BASF Aktiengesellschaft (DE) 1991-12-11 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 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.