SCHEMBL699229

SCHEMBL699229

Cc1[c]c(C)cc(-c2ccoc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
P2RY14 Q15391 1/20 0.37
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CHEK1 O14757 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 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
SCHEMBL4478147 0.81 CYP1A2 (0.31) ALDH1A1CYP2D6CYP2C19LMNACYP1A2
SCHEMBL27680279 0.77 P2RY14 (0.42) ERN1ALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL7191487 0.75 LPL (0.46) ERN1ALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL4852858 0.75 ALDH1A1 (0.35) ALDH1A1CYP3A4TP53
SCHEMBL19537483 0.74 CYP1A2 (0.38) ERN1ALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL512901 0.74 ADORA1 (0.36) ERN1ALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL15517479 0.72 CA1 (0.58) ERN1ALDH1A1CYP2C19CYP1A2LPL
SCHEMBL2752346 0.72 CYP1A1 (0.55) ERN1ALDH1A1CYP2D6CYP2C19CYP1A2
SCHEMBL15262192 0.72 ERN1 (0.37) ERN1ALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL9454800 0.71 LPL (0.40) ERN1ALDH1A1CYP2D6CYP2C19LMNA

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 18 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
CN-102976984-A Preparation intermediate of insecticide for agricultural and horticultural uses MITSUI CHEMICALS INC 2013-03-20 CN 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
EP-1911751-A1 AMIDE DERIVATIVE AND PESTICIDE CONTAINING SUCH COMPOUND Mitsui Chemicals, Inc. (JP) 2008-04-16 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
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 ERN1 3102/4885ALDH1A1 1956/4885CYP2D6 589/4885
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP1A2, CYP2C9, CYP3A7 ERN1 3290/4885ALDH1A1 145/4885CYP2D6 48/4885
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP2C8, CYP4F8, CYP3A7 ERN1 2855/4885ALDH1A1 184/4885CYP2D6 52/4885
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof CBR3, ATL3, CNPY2 ERN1 2793/4885ALDH1A1 1149/4885CYP2D6 391/4885

“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.