SCHEMBL3250987

SCHEMBL3250987

COC(=O)COc1ncccc1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 3/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX12 P18054 1/20 0.43
PTPN1 P18031 1/20 0.40
PDE5A O76074 1/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ESR1 P03372 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
HMGB1 P09429 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GGT1 P19440 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL7645960 0.86 KDM4E (0.44) KDM4ETDP1CYP3A4ALOX12PTPN1
SCHEMBL6641775 0.86 USP2 (0.45) KDM4ETDP1CYP3A4ALOX12PTPN1
SCHEMBL22923106 0.84 KDM4E (0.43) KDM4ETDP1CYP3A4ALOX12PTPN1
SCHEMBL10881331 0.81 KDM4E (0.51) KDM4ETDP1CYP3A4ALOX12PTPN1
SCHEMBL3238420 0.78 ALDH1A1 (0.42) KDM4ETDP1LMNAMEN1CYP1A2
SCHEMBL17434699 0.78 POLB (0.41) TDP1LMNAMEN1CYP1A2KMT2A
SCHEMBL6644793 0.77 POLB (0.41) KDM4ETDP1LMNAMEN1CYP1A2
SCHEMBL6643516 0.77 LMNA (0.43) KDM4ETDP1CYP3A4ALOX12LMNA
SCHEMBL3251631 0.77 GRM4 (0.40) TDP1LMNAMEN1CYP1A2KMT2A
SCHEMBL7005171 0.76 P2RX7 (0.47) KDM4ELMNAMEN1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1736052-B1 Stem/leaf desiccant SUMITOMO CHEMICAL CO (JP) 2010-04-21 EP disclosed
US-7538072-B2 Stem/leaf desiccant SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-26 US disclosed
US-7538072-B2 Stem/leaf desiccant SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-26 US disclosed
US-7538072-B2 Stem/leaf desiccant SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-26 US disclosed
EP-1397958-B1 STEM/LEAF DESICCANT SUMITOMO CHEMICAL CO (JP) 2007-01-10 EP disclosed
EP-1397958-B1 STEM/LEAF DESICCANT SUMITOMO CHEMICAL CO (JP) 2007-01-10 EP disclosed
EP-1736052-A2 Stem/leaf desiccant Sumitomo Chemical Company, Limited (JP) 2006-12-27 EP disclosed
US-20060234865-A1 Using an acylurea compound containing pyrimidine ring;; used before the harvest of crops such as potato, sunflower, soybean, rape, sorghum and the like; methyl [2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenoxy]acetate SUMITOMO CHEMICAL COMPANY, LIMITED 2006-10-19 US disclosed
US-7115544-B2 Plant growth regulators for cotton hervest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-03 US disclosed
US-7109148-B2 Stem/leaf desiccant SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-09-19 US disclosed
EP-1122244-B1 Uracil compounds and their use SUMITOMO CHEMICAL CO (JP) 2004-09-29 EP disclosed
US-20040152597-A1 Plant growth regulators for cotton hervest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-08-05 US disclosed
US-20040138063-A1 Using an acylurea compound containing pyrimidine ring SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-15 US disclosed
EP-1397958-A1 STEAM/LEAF DESSICANT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-03-17 EP disclosed
US-6537948-B1 Have a wide range of herbicidal spectrum, and causes no phytotoxicity on crops SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-25 US disclosed
WO-2002098227-A1 PLANT GROWTH REGULATORS FOR COTTON HERVEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-12 WO disclosed
EP-1122244-A1 Uracil compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-08 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-20040152597-A1 Plant growth regulators for cotton hervest GHDC, CBR3, CBR1 KDM4E 291/4885TDP1 4332/4885CYP3A4 4421/4885
US-20060234865-A1 Using an acylurea compound containing pyrimidine ring;; used before the harvest of crops such as potato, sunflower, soybean, rape, sorghum and the like; methyl [2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenoxy]acetate CPS1, H1-0, H1-3 KDM4E 363/4885TDP1 2524/4885CYP3A4 1456/4885
US-20040138063-A1 Using an acylurea compound containing pyrimidine ring CPS1, ACACA, ODC1 KDM4E 971/4885TDP1 1991/4885CYP3A4 3676/4885

“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.