SCHEMBL1230105

SCHEMBL1230105

NN=C(c1ccc(C=O)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.44
▸ PARP3 Q9Y6F1 1/20 0.44
▸ GRIN2B Q13224 4/20 0.43
▸ EPHX2 P34913 2/20 0.41
▸ FAAH O00519 1/20 0.41
▸ STS P08842 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ GCGR P47871 1/20 0.39

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
SCHEMBL1230101 1.00 PARP10 (0.44) PARP10PARP3GRIN2BEPHX2FAAH
SCHEMBL17338765 0.87 GRIN2B (0.51) GRIN2BEPHX2TRPV1
SCHEMBL97114 0.82 ALDH1A1 (0.52) PARP10PARP3EPHX2FAAHSTS
Hydrochloric Acid SCHEMBL3539828 0.80 ALDH1A1 (0.50) PARP10PARP3EPHX2FAAHSTS
Ethylene SCHEMBL27779893 0.78 ALDH1A1 (0.48) PARP10PARP3EPHX2FAAHSTS
Formaldehyde SCHEMBL28016257 0.78 ALDH1A1 (0.48) PARP10PARP3EPHX2FAAHSTS
SCHEMBL17338830 0.78 GRIN2B (0.44) GRIN2BEPHX2ALDH1A1NPC1RAB9A
SCHEMBL17338831 0.78 GRIN2B (0.44) GRIN2BEPHX2ALDH1A1NPC1RAB9A
SCHEMBL27556434 0.77 STS (0.47) EPHX2FAAHSTSALDH1A1CA12
SCHEMBL1744566 0.77 PARP10 (0.50) PARP10PARP3EPHX2FAAHSTS

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
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 — — US disclosed
EP-2247603-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-09-28 — — EP disclosed
US-9179681-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-11-10 — — US disclosed
EP-2461687-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-09-16 — — EP disclosed
US-9018363-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-28 — — US disclosed
US-9006468-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-04-14 — — US disclosed
US-20150080326-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-03-19 — — US disclosed
US-8927729-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-01-06 — — US disclosed
US-20140148340-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-29 — — US disclosed
US-20140135364-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-15 — — US disclosed
US-20120172217-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 — — US disclosed
EP-2461688-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2012-06-13 — — EP disclosed
EP-2461687-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2012-06-13 — — EP disclosed
US-20120122805-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-05-17 — — US disclosed
US-8178658-B2 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES, LLC (US) 2012-05-15 — — US disclosed
WO-2011017513-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2011-02-10 — — WO disclosed
WO-2011017504-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2011-02-10 — — WO disclosed
EP-2247603-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2010-11-10 — — EP disclosed
WO-2009102736-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2009-08-20 — — WO disclosed
US-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES LLC (US) 2009-08-20 — — US 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 (6 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-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DDT, ACHE, NANP PARP10 4350/4885PARP3 4203/4885GRIN2B 2792/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS PARP10 3426/4885PARP3 2353/4885GRIN2B 2503/4885
US-20140148340-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLCG2 PARP10 3445/4885PARP3 1408/4885GRIN2B 1298/4885
US-20120172217-A1 PESTICIDAL COMPOSITIONS DDT, AADAC, ACHE PARP10 4660/4885PARP3 3413/4885GRIN2B 3409/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS PARP10 3426/4885PARP3 2353/4885GRIN2B 2503/4885
US-20140135364-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLCG2 PARP10 3445/4885PARP3 1408/4885GRIN2B 1298/4885

“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.

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