SCHEMBL2687361

SCHEMBL2687361

O=C(Oc1c(Cl)cc(Cl)cc1Cl)C(C(=O)Oc1c(Cl)cc(Cl)cc1Cl)c1cccc(-c2ccc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RORB Q92753 4/20 0.39
▸ RORC P51449 3/20 0.39
▸ CTSA P10619 3/20 0.39
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ AKR1C3 P42330 2/20 0.38
▸ AKR1C2 P52895 2/20 0.38
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ PPARG P37231 3/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ STK39 Q9UEW8 1/20 0.35
▸ CES2 O00748 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL12477325 0.86 CES2 (0.47) PPARGSTK39CES2
SCHEMBL1274836 0.82 MEN1 (0.45) RORBRORCCTSAAKR1C3AKR1C2
SCHEMBL28327522 0.81 PPARG (0.47) THRATHRBPPARGSTK39CES2
SCHEMBL28436668 0.76 MEN1 (0.40) —
SCHEMBL28328822 0.75 CES2 (0.43) PPARGCES2
SCHEMBL15671624 0.75 P2RX1 (0.40) CTSATHRATHRB
SCHEMBL1273899 0.73 SRC (0.42) PPARGSTK39
SCHEMBL19892726 0.72 L3MBTL1 (0.40) MRGPRX4
SCHEMBL28732508 0.72 MAPK1 (0.35) PPARGMRGPRX4
SCHEMBL28341288 0.70 PPARG (0.54) PPARGCES2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9314025-B2 Mixtures of mesoionic pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2016-04-19 — — US disclosed
US-20140187776-A1 MIXTURES OF MESOIONIC PESTICIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-07-03 — — US disclosed
US-8697707-B2 Mixtures of mesoionic pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-04-15 — — US disclosed
US-20120115722-A1 MIXTURES OF MESOIONIC PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-10 — — 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 (2 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-20140187776-A1 MIXTURES OF MESOIONIC PESTICIDES DDT, C5, CBR3 RORB 4182/4885RORC 4023/4885CTSA 2198/4885
US-20120115722-A1 MIXTURES OF MESOIONIC PESTICIDES DDT, C5, CBR3 RORB 4182/4885RORC 4023/4885CTSA 2198/4885

“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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