SCHEMBL4549587

SCHEMBL4549587

Cc1ccc(OC(F)(F)C(F)C(F)(F)F)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
ADRB2 P07550 1/20 0.34
ABL1 P00519 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CHRNB1 P11230 1/20 0.33

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
SCHEMBL17992182 0.81 ALDH1A1 (0.49) ALDH1A1TSHRHSD17B10CHRNB2CHRNA4
SCHEMBL2304950 0.78 KMT2A (0.48) KMT2AMEN1ADRB2MAPT
SCHEMBL11679555 0.78 ALDH1A1 (0.69) ALDH1A1TSHRHSD17B10KMT2AMEN1
SCHEMBL16853587 0.77 KMT2A (0.38) KMT2AMEN1CHRNB2CHRNA4ADRB2
SCHEMBL2303698 0.75 KMT2A (0.39) KMT2AMEN1CHRNB2CHRNA4ADRB2
SCHEMBL3866624 0.75 KMT2A (0.38) KMT2AMEN1CHRNB2CHRNA4ADRB2
SCHEMBL17992200 0.74 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10KMT2AMEN1
SCHEMBL13019890 0.72 KMT2A (0.40) KMT2ACHRNB2CHRNA4ABL1MAPT
SCHEMBL12147787 0.71 RXRA (0.41) KMT2ACHRNB2CHRNA4ABL1KDM4E
SCHEMBL2305233 0.71 KMT2A (0.39) KMT2AMEN1CHRNB2CHRNA4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178658-B2 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES, LLC (US) 2012-05-15 US disclosed
US-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES LLC (US) 2009-08-20 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-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DDT, ACHE, NANP ALDH1A1 2110/4885TSHR 1299/4885HSD17B10 1173/4885

“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.