SCHEMBL919396

SCHEMBL919396

CC(C)=CCOc1c[c]ccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MTNR1A P48039 1/20 0.39
MAOB P27338 1/20 0.36
GAA P10253 4/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MGAM O43451 3/20 0.35
SI P14410 3/20 0.35
MGAM2 Q2M2H8 3/20 0.35
NDUFS8 O00217 1/20 0.35
COXFA4 O00483 1/20 0.35
NDUFAB1 O14561 1/20 0.35
NDUFA1 O15239 1/20 0.35
NDUFS4 O43181 1/20 0.35
NDUFB5 O43674 1/20 0.35
NDUFB3 O43676 1/20 0.35
NDUFC1 O43677 1/20 0.35
NDUFA2 O43678 1/20 0.35
NDUFS5 O43920 1/20 0.35

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
SCHEMBL920900 0.83 HTT (0.42)
SCHEMBL919252 0.78 KDM4E (0.43) KDM4EALDH1A1MTNR1AMAOBGAA
SCHEMBL1135899 0.77 NDUFS8 (0.49) KDM4EALDH1A1MTNR1AMAOBMAPT
SCHEMBL919477 0.77 AOC3 (0.38)
SCHEMBL919478 0.77 AOC3 (0.38)
SCHEMBL910954 0.77 MEN1 (0.40) ALDH1A1MAPTHPGD
SCHEMBL921140 0.76 ALOX15 (0.32) MAOB
SCHEMBL920325 0.76 AOC3 (0.41)
SCHEMBL921139 0.76 ALOX15 (0.32) MAOB
SCHEMBL920327 0.76 AOC3 (0.41)

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516426-B1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2015-09-16 EP claimed
JP-5213822-A None JP disclosed
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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
WO-2008126684-A2 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 WO disclosed
JP-H05213822-A 1-ALKOXYHEXATRIENE-2-CARBOXYLATE BAYER AG 1993-08-24 JP disclosed
US-5234946-A Anticholesterol, antilipemic BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US disclosed
EP-0318860-B1 SUBSTITUTED ALKYLAMINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-16 EP disclosed
EP-0318860-A2 Substituted alkylamine derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-06-07 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 (3 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX KDM4E 2045/4885ALDH1A1 3801/4885MTNR1A 3456/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 KDM4E 3657/4885ALDH1A1 2743/4885MTNR1A 1569/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 KDM4E 3733/4885ALDH1A1 4326/4885MTNR1A 1415/4885

“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.