SCHEMBL1274836

SCHEMBL1274836

CCOC(=O)C(C(=O)OCC)c1cccc(-c2ccc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MRGPRX4 Q96LA9 2/20 0.44
▸ CTSA P10619 3/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ AKR1C3 P42330 2/20 0.41
▸ AKR1C2 P52895 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ RORC P51449 1/20 0.40
▸ RORB Q92753 1/20 0.40
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ DGAT1 O75907 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
SCHEMBL12502989 0.82 MEN1 (0.56) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL11264190 0.82 PRMT5 (0.45) MEN1KMT2AMRGPRX4AKR1C3AKR1C2
SCHEMBL2687361 0.82 RORB (0.39) MRGPRX4CTSAAKR1C3AKR1C2PTGDR2
SCHEMBL30836057 0.81 CES2 (0.49) MEN1KMT2ACYP1A2CYP3A4MAPT
SCHEMBL1043810 0.81 CES2 (0.49) MEN1KMT2ACYP1A2CYP3A4MAPT
SCHEMBL1275937 0.80 HTT (0.44) MEN1KMT2AMRGPRX4BACE1MAPT
SCHEMBL1274044 0.78 CTSA (0.52) CTSAMAPT
SCHEMBL812910 0.76 CTSA (0.54) CTSAMAPT
SCHEMBL11432112 0.75 EPHX1 (0.52) MEN1KMT2ACYP1A2CYP3A4MAPT
SCHEMBL4750069 0.75 CES2 (0.46) MEN1KMT2ACYP1A2CYP3A4MAPT

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 6 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
EP-2461685-A2 MIXTURES OF MESOIONIC PESTICIDES E. I. du Pont de Nemours and Company (US) 2012-06-13 — — EP disclosed
US-20120115722-A1 MIXTURES OF MESOIONIC PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-10 — — US disclosed
WO-2011017351-A2 MIXTURES OF MESOIONIC PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-10 — — WO 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 MEN1 327/4885KMT2A 3250/4885MRGPRX4 461/4885
US-20120115722-A1 MIXTURES OF MESOIONIC PESTICIDES DDT, C5, CBR3 MEN1 327/4885KMT2A 3250/4885MRGPRX4 461/4885

“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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