SCHEMBL698388

SCHEMBL698388

CCOC(=O)c1cccc(NC(=O)OCC(Cl)(Cl)Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.67
SMN1; SMN2 Q16637 7/20 0.67
NPC1 O15118 7/20 0.67
HPGD P15428 3/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
KMT2A Q03164 5/20 0.60
ALDH1A1 P00352 5/20 0.60
TSHR P16473 1/20 0.60
POLB P06746 2/20 0.57
PKM P14618 1/20 0.57
MAPT P10636 5/20 0.56
MEN1 O00255 4/20 0.56
MAPK1 P28482 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
LMNA P02545 2/20 0.55
HSD17B10 Q99714 1/20 0.55
ABCB1 P08183 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL11655759 0.88 SMN1; SMN2 (0.80) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL699081 0.84 RAB9A (0.51) RAB9ASMN1; SMN2NPC1HPGDKMT2A
SCHEMBL698139 0.84 HPGD (0.51) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL1543828 0.82 RAB9A (0.67) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL30444110 0.81 SMN1; SMN2 (0.73) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL1127078 0.80 RAB9A (0.67) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL7808621 0.79 SMN1; SMN2 (0.70) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL6408672 0.79 KMT2A (0.73) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL14254902 0.79 ALDH1A1 (0.80) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL6407271 0.79 KMT2A (0.73) RAB9ASMN1; SMN2NPC1HPGDCYP1A2

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-2423188-B1 Intermediates in the preparation of agricultural/horticultural insecticides and method for using the same MITSUI CHEMICALS AGRO INC (JP) 2021-03-10 EP disclosed
EP-1661886-B1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS AGRO INC (JP) 2016-08-10 EP disclosed
US-9101135-B2 Agricultural/horticultural insecticide and method for using the same MITSUI CHEMICALS, INC. (JP) 2015-08-11 US disclosed
US-9089133-B2 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS, INC. (JP) 2015-07-28 US disclosed
US-20140303377-A1 AGRICULTURAL/HORTICULTURAL INSECTICIDE AND METHOD FOR USING THE SAME MITSUI CHEMICALS, INC. (JP) 2014-10-09 US disclosed
US-8816128-B2 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS, INC. (JP) 2014-08-26 US disclosed
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS, INC. (JP) 2013-03-14 US disclosed
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS, INC. (JP) 2012-08-30 US disclosed
US-8158814-B2 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS, INC. (JP) 2012-04-17 US disclosed
EP-2423188-A1 Agricultural/Horticultural Insecticide and Method for Using the Same MITSUI CHEMICALS AGRO, INC. (JP) 2012-02-29 EP disclosed
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS., INC. (JP) 2007-02-01 US disclosed
EP-1661886-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF Mitsui Chemicals, Inc. (JP) 2006-05-31 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 (4 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-20140303377-A1 AGRICULTURAL/HORTICULTURAL INSECTICIDE AND METHOD FOR USING THE SAME CBR3, ATL3, CNPY2 RAB9A 4275/4885SMN1; SMN2 3365/4885NPC1 1561/4885
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP1A2, CYP2C9, CYP3A7 RAB9A 1488/4885SMN1; SMN2 4039/4885NPC1 3484/4885
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP2C8, CYP4F8, CYP3A7 RAB9A 2912/4885SMN1; SMN2 4224/4885NPC1 3604/4885
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof CBR3, ATL3, CNPY2 RAB9A 4104/4885SMN1; SMN2 2549/4885NPC1 1365/4885

“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.