SCHEMBL921787

SCHEMBL921787

C=CCCCCOc1cc[c]cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KCNA3 P22001 1/20 0.40
HTT P42858 2/20 0.36
ALDH2 P05091 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
LPAR3 Q9UBY5 2/20 0.35
LPAR2 Q9HBW0 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 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
SCHEMBL6928402 0.98 ALDH1A1 (0.47) ALDH1A1L3MBTL1KCNA3HTTALDH2
SCHEMBL920629 0.98 ALDH1A1 (0.47) ALDH1A1L3MBTL1KCNA3HTTALDH2
SCHEMBL920772 0.94 ALDH1A1 (0.54) ALDH1A1L3MBTL1KCNA3HTTALDH2
SCHEMBL920853 0.88 ALDH1A1 (0.43) ALDH1A1L3MBTL1KCNA3HTTHPGD
SCHEMBL8553182 0.86 L3MBTL1 (0.61) ALDH1A1L3MBTL1KCNA3HTTALDH2
SCHEMBL15365357 0.84 ALDH1A1 (0.59) ALDH1A1L3MBTL1KCNA3HTTALDH2
SCHEMBL10842357 0.81 KCNA3 (0.38) ALDH1A1L3MBTL1KCNA3HTTHDAC3
SCHEMBL9699119 0.80 ALDH1A1 (0.56) ALDH1A1L3MBTL1KCNA3HTTALDH2
SCHEMBL11323091 0.80 KCNA3 (0.67) ALDH1A1L3MBTL1KCNA3HDAC3HDAC4
SCHEMBL920237 0.79 ALDH1A1 (0.41) ALDH1A1L3MBTL1KCNA3HTTALDH2

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 8 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
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.