SCHEMBL19136385

SCHEMBL19136385

CC(F)(F)C(=O)c1cc(Br)cc(OCC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.41
PAX8 Q06710 2/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
AMD1 P17707 1/20 0.40
NOTUM Q6P988 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 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
SCHEMBL2277550 0.83 L3MBTL1 (0.45) MEN1LMNAKMT2APAX8MAPT
SCHEMBL16396285 0.82 NOTUM (0.61) MEN1LMNAKMT2APAX8MAPT
SCHEMBL16449183 0.79 NOTUM (0.44) MEN1LMNAKMT2AALDH1A1NOTUM
SCHEMBL2284421 0.78 MLYCD (0.41) MEN1LMNAKMT2APAX8MAPT
SCHEMBL19136536 0.77 ALDH1A1 (0.57) MEN1LMNAKMT2APAX8MAPT
SCHEMBL31294622 0.73 MAPT (0.53) MEN1LMNAKMT2APAX8MAPT
SCHEMBL2278949 0.72 ALDH1A1 (0.47) LMNAALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL19183497 0.71 MAPT (0.47) MEN1LMNAKMT2APAX8MAPT
SCHEMBL1181898 0.71 MAPT (0.50) MEN1LMNAKMT2APAX8MAPT
SCHEMBL977465 0.71 MAPT (0.55) MEN1LMNAKMT2APAX8MAPT

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
EP-3408262-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow Agrosciences LLC (US) 2018-12-05 EP disclosed
WO-2017132014-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-08-03 WO disclosed
WO-2017132014-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-08-03 WO disclosed
US-20170210723-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 US disclosed
US-20170210723-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 US disclosed
US-20170210723-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 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 (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-20170210723-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 MEN1 938/4885LMNA 3113/4885KMT2A 3016/4885

“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.