SCHEMBL1275937

SCHEMBL1275937

CCOC(=O)Cc1cccc(-c2ccc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MRGPRX4 Q96LA9 7/20 0.44
POLB P06746 1/20 0.43
DHFR P00374 2/20 0.43
SHMT1 P34896 1/20 0.42
SHMT2 P34897 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
BACE1 P56817 1/20 0.42
THRB P10828 1/20 0.41

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
SCHEMBL2081923 0.86 PPID (0.47) HTTALDH1A1POLBDHFRL3MBTL1
SCHEMBL2080343 0.83 LMNA (0.42) HTTALDH1A1POLBDHFRMEN1
SCHEMBL21061049 0.82 L3MBTL1 (0.54) ALDH1A1MRGPRX4POLBL3MBTL1MEN1
SCHEMBL139320 0.82 PTGDR2 (0.46) HTTALDH1A1POLBDHFRL3MBTL1
SCHEMBL701131 0.81 ALDH1A1 (0.61) HTTALDH1A1POLBL3MBTL1MEN1
SCHEMBL11233673 0.80 L3MBTL1 (0.46) ALDH1A1MRGPRX4POLBL3MBTL1MEN1
SCHEMBL1274836 0.80 MEN1 (0.45) MRGPRX4L3MBTL1MEN1MAPTKMT2A
SCHEMBL1274076 0.78 AOC3 (0.44) HTTALDH1A1SHMT1SHMT2L3MBTL1
SCHEMBL11850460 0.78 SMN1; SMN2 (0.54) HTTALDH1A1L3MBTL1MAPT
SCHEMBL11264190 0.78 PRMT5 (0.45) ALDH1A1MRGPRX4L3MBTL1MEN1KMT2A

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 5 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
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 (1 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 HTT 2868/4885ALDH1A1 2865/4885MRGPRX4 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.