SCHEMBL2554068

SCHEMBL2554068

FC(F)(F)Cc1cc(Cl)c(Cl)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
NOTUM Q6P988 1/20 0.39
PYCR1 P32322 1/20 0.33
DAO P14920 1/20 0.32
GPR84 Q9NQS5 1/20 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
SCHEMBL24993297 0.85 ALDH1A1 (0.39) IDO1
SCHEMBL15516526 0.80 NOTUM (0.42) IDO1NOTUMPYCR1DAOGPR84
SCHEMBL15516635 0.77 IDO1 (0.41) IDO1NOTUMPYCR1DAOGPR84
SCHEMBL8927790 0.72 CYP3A4 (0.50) IDO1
SCHEMBL5179200 0.72 TSHR (0.45) IDO1NOTUM
SCHEMBL27796545 0.72 ALDH1A1 (0.52) IDO1NOTUM
SCHEMBL12471602 0.71 P2RX7 (0.41)
SCHEMBL19182710 0.71
SCHEMBL12472277 0.71 IDO1 (0.33) IDO1NOTUM
SCHEMBL6222180 0.70 NOTUM (0.43) NOTUM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109757-A1 PROCESS FOR THE PREPARATION OF PYRROLINES FROM GAMMA-NITROKETONES. USE OF THE GAMMA-NITROKETONES AS PESTICIDAL AGENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-02 US disclosed
EP-2558444-A1 PROCESS FOR THE PREPARATION OF PYRROLINES FROM GAMMA-NITROKETONES. USE OF THE GAMMA-NITROKETONES AS PESTICIDAL AGENTS Bayer Intellectual Property GmbH (DE) 2013-02-20 EP disclosed
WO-2011128299-A1 PROCESS FOR THE PREPARATION OF PYRROLINES FROM GAMMA-NITROKETONES. USE OF THE GAMMA-NITROKETONES AS PESTICIDAL AGENTS BAYER CROPSCIENCE AG (DE) 2011-10-20 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-20130109757-A1 PROCESS FOR THE PREPARATION OF PYRROLINES FROM GAMMA-NITROKETONES. USE OF THE GAMMA-NITROKETONES AS PESTICIDAL AGENTS NOS2, PDXK, GSTK1 IDO1 345/4885NOTUM 1764/4885PYCR1 38/4885

“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.