SCHEMBL696796

SCHEMBL696796

Cc1[c]c(C)cc(-c2ccsc2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.48
CYP2B6 P20813 3/20 0.46
CYP2E1 P05181 2/20 0.46
KCNH2 Q12809 1/20 0.44
DRD2 P14416 1/20 0.41
HTR6 P50406 1/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ERN1 O75460 3/20 0.38
P2RY14 Q15391 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
PTPRC P08575 1/20 0.37

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
SCHEMBL4465487 0.81 CYP2A6 (0.39) CYP2A6CYP2B6CYP2E1KCNH2DRD2
SCHEMBL2125063 0.75 CYP2A6 (0.72) CYP2A6CYP2B6CYP2E1KCNH2PDGFRB
SCHEMBL4852858 0.75 ALDH1A1 (0.35) CYP3A4
SCHEMBL19537481 0.74 DRD2 (0.61) CYP2A6CYP2B6CYP2E1KCNH2DRD2
SCHEMBL514397 0.74 CYP2A6 (0.42) CYP2A6CYP2B6CYP2E1KCNH2DRD2
SCHEMBL9454295 0.72 CYP2A6 (0.45) CYP2A6CYP2B6CYP2E1KCNH2PDGFRB
SCHEMBL29136542 0.71 CYP2A6 (0.59) CYP2A6CYP2B6CYP2E1KCNH2PDGFRB
SCHEMBL27989815 0.70 CYP2A6 (0.74) CYP2A6CYP2B6CYP2E1KCNH2CYP3A4
SCHEMBL2782336 0.70 CYP2A6 (0.58) CYP2A6CYP2B6CYP2E1KCNH2PDGFRB
SCHEMBL14506751 0.70 KCNH2 (0.53) CYP2A6CYP2B6CYP2E1KCNH2PDGFRB

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 24 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-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-20090233962-A1 Amide derivative and insecticide containing the same MITSUI CHEMICALS, INC. (JP) 2009-09-17 US disclosed
CN-101203484-A Amide derivative and pesticide containing such compound MITSUI CHEMICALS INC (JP) 2008-06-18 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 (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-20140303377-A1 AGRICULTURAL/HORTICULTURAL INSECTICIDE AND METHOD FOR USING THE SAME CBR3, ATL3, CNPY2 CYP2A6 357/4885CYP2B6 362/4885CYP2E1 121/4885
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof CBR3, ATL3, CNPY2 CYP2A6 286/4885CYP2B6 250/4885CYP2E1 44/4885
US-20090233962-A1 Amide derivative and insecticide containing the same CYP1A1, CYP4B1, CYP2E1 CYP2A6 35/4885CYP2B6 26/4885CYP2E1 3/4885

“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.