SCHEMBL19731208

SCHEMBL19731208

O=C(OBr)c1ccc(F)c(F)c1F

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 8/20 0.61
CES1 P23141 8/20 0.61
BCHE P06276 1/20 0.39
DGAT1 O75907 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAP2K2 P36507 2/20 0.32
MAP2K1 Q02750 2/20 0.32
EPHX2 P34913 2/20 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
SCHEMBL30954397 0.82 CES2 (0.67) CES2CES1BCHEDGAT1ALDH1A1
SCHEMBL1345183 0.82 CES2 (0.67) CES2CES1BCHEDGAT1ALDH1A1
SCHEMBL382348 0.78 CES2 (0.61) CES2CES1ALDH1A1
SCHEMBL1760850 0.77 CES2 (0.73) CES2CES1BCHEDGAT1ALDH1A1
SCHEMBL7096567 0.75 CES2 (0.57) CES2CES1BCHEALDH1A1
SCHEMBL20551726 0.75 CES2 (0.61) CES2CES1ALDH1A1
SCHEMBL241797 0.75 CES2 (0.70) CES2CES1BCHEALDH1A1MAP2K2
SCHEMBL7744985 0.75 CES2 (0.70) CES2CES1BCHEDGAT1ALDH1A1
SCHEMBL4444760 0.75 CES2 (0.70) CES2CES1BCHEDGAT1ALDH1A1
SCHEMBL3930009 0.74 CES2 (0.58) CES2CES1BCHEALDH1A1

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-10651388-B2 Compositions comprising at least one polymer and at least one metal complex and to electroluminescent devices containing said compositions MERCK PATENT GMBH (DE) 2020-05-12 US disclosed
US-10566550-B2 Formulation containing an organic semiconductor and a metal complex MERCK PATENT GMBH (DE) 2020-02-18 US disclosed
US-20190225581-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-07-25 US disclosed
US-20190074453-A1 FORMULATION CONTAINING AN ORGANIC SEMICONDUCTOR AND A METAL COMPLEX MERCK PATENT GMBH (DE) 2019-03-07 US disclosed
US-20170365786-A1 COMPOSITIONS COMPRISING AT LEAST ONE POLYMER AND AT LEAST ONE METAL COMPLEX AND TO ELECTROLUMINESCENT DEVICES CONTAINING SAID COMPOSITIONS MERCK PATENT GMBH (DE) 2017-12-21 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-20190225581-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, SLCO2A1, PIEZO1 CES2 1716/4885CES1 4003/4885BCHE 3578/4885

“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.