SCHEMBL19136267

SCHEMBL19136267

OC(c1ccc(Cl)c(Br)c1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
S1PR1 P21453 1/20 0.32
ABL1 P00519 1/20 0.32
HTR6 P50406 2/20 0.32
PDE2A O00408 1/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
KDR P35968 1/20 0.31
ACSS2 Q9NR19 1/20 0.31
SLC6A2 P23975 5/20 0.31
SLC6A4 P31645 5/20 0.31
SLC6A3 Q01959 5/20 0.31
CYP3A4 P08684 4/20 0.31
CYP2D6 P10635 4/20 0.31

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
SCHEMBL20523420 1.00 BRD4 (0.34) BRD4BRD2ESR1ESR2S1PR1
SCHEMBL21358390 0.85 SLC6A2 (0.42) BRD4BRD2ESR1ESR2HTR6
SCHEMBL19137010 0.85 SLC6A2 (0.42) BRD4BRD2ESR1ESR2HTR6
SCHEMBL15792038 0.82 ESR1 (0.35) ESR1ESR2ACSS2
SCHEMBL27940674 0.82 AHR (0.41) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL9874617 0.82 AHR (0.41) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL19136180 0.79 FAAH (0.38) BRD4BRD2ESR1ESR2S1PR1
SCHEMBL25237882 0.79 PARP1 (0.33) BRD4BRD2ESR1ESR2ACSS2
SCHEMBL30390224 0.79 PARP1 (0.33) BRD4BRD2ESR1ESR2ACSS2
SCHEMBL19136132 0.79 S1PR1 (0.33) S1PR1ABL1

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108699022-B Molecules having pesticidal utility, and intermediates, compositions and methods related to these molecules 美国陶氏益农公司 2021-11-09 CN disclosed
CN-109152363-B Molecules having pesticidal utility, and intermediates, compositions and methods related to these molecules 美国陶氏益农公司 2021-10-15 CN disclosed
CN-108882704-B Molecules having pesticidal utility, and intermediates, compositions and methods related to these molecules 美国陶氏益农公司 2021-09-10 CN disclosed
EP-3407717-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-07-28 EP disclosed
EP-3407717-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-07-28 EP disclosed
CN-108697081-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2021-07-23 CN disclosed
CN-108697091-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2021-07-23 CN disclosed
EP-3407716-B9 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2021-07-14 EP disclosed
EP-3407716-B9 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2021-07-14 EP disclosed
EP-3407720-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-03-10 EP disclosed
US-20170208803-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 US disclosed
US-20170208803-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 US disclosed
US-20170208803-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 US disclosed
US-20170208805-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 US disclosed
US-20170208804-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 US disclosed
US-20170208810-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 US disclosed
US-20170208805-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 US disclosed
US-20170208806-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 US disclosed
US-20170208806-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 US disclosed
US-20170208805-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 (5 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-20170208803-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 BRD4 4745/4885BRD2 4654/4885ESR1 4793/4885
US-20170208810-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 BRD4 4745/4885BRD2 4654/4885ESR1 4793/4885
US-20170208806-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 BRD4 4745/4885BRD2 4654/4885ESR1 4793/4885
US-20170208804-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 BRD4 4745/4885BRD2 4654/4885ESR1 4793/4885
US-20170208805-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 BRD4 4745/4885BRD2 4654/4885ESR1 4793/4885

“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.