SCHEMBL698326

SCHEMBL698326

Cc1[c]c(C)cc(-c2ccc(F)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
MAPK14 Q16539 1/20 0.35
MAOB P27338 1/20 0.34
AXL P30530 1/20 0.33
KEAP1 Q14145 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS2 P35354 1/20 0.33
NFE2L2 Q16236 1/20 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
SCHEMBL698699 0.80 ACHE (0.42) ACHENPC1RAB9ACA12CA9
SCHEMBL4852858 0.79 ALDH1A1 (0.35) ALDH1A1
SCHEMBL698032 0.77 CYP17A1 (0.39) ALDH1A1MAOBPTGS2NFE2L2
SCHEMBL23581975 0.76 ALDH1A1 (0.44) ALDH1A1KDM4EMAOBNPC1RAB9A
SCHEMBL27919047 0.76 AHR (0.50) ALDH1A1KDM4EMAOBNPC1RAB9A
SCHEMBL2944704 0.76 BCL2L1 (0.48) ACHEBCL2L1BADLPLLIPG
SCHEMBL19423241 0.76 BCL2L1 (0.48) ACHEBCL2L1BADLPLLIPG
SCHEMBL697845 0.76 TAAR1 (0.48) ACHETNKS2CA12CA9
SCHEMBL697515 0.76 DAPK3 (0.42) ACHEALDH1A1PTGS2
SCHEMBL2014607 0.76 TNKS2 (0.39) ACHEALDH1A1KDM4ETNKS2BCL2L1

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 21 patents — showing the first 20. 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
CN-104892431-B Insecticide for agricultural or horticultural use prepares intermediate 三井化学株式会社 2018-05-01 CN 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
CN-102718665-B Insecticide for agricultural or horticultural use prepare intermediate MITSUI CHEMICAL INDUSTRY CO., LTD. (JP) 2015-09-16 CN disclosed
CN-104892431-A Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS INC 2015-09-09 CN 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
CN-102976984-B Preparation intermediate of insecticide for agricultural and horticultural uses MITSUI CHEMICALS INC 2015-04-08 CN 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
CN-102718665-A Preparation intermediate of insecticide for agricultural and horticultural uses MITSUI CHEMICALS INC 2012-10-10 CN 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
CN-101684079-A Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS INC 2010-03-31 CN disclosed
CN-100554249-C Agricultural and horticultural insecticide and method of use thereof MITSUI CHEMICALS INC (JP) 2009-10-28 CN disclosed
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS., INC. (JP) 2007-02-01 US disclosed
CN-1871209-A Agricultural and horticultural insecticide and method of use thereof MITSUI CHEMICALS INC (JP) 2006-11-29 CN 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 ACHE 199/4885ALDH1A1 1956/4885KDM4E 1970/4885
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP1A2, CYP2C9, CYP3A7 ACHE 19/4885ALDH1A1 145/4885KDM4E 1447/4885
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP2C8, CYP4F8, CYP3A7 ACHE 23/4885ALDH1A1 184/4885KDM4E 1815/4885
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof CBR3, ATL3, CNPY2 ACHE 141/4885ALDH1A1 1149/4885KDM4E 2070/4885

“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.