SCHEMBL716264

SCHEMBL716264

OCc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RXRA P19793 5/20 0.38
GRIN1 Q05586 5/20 0.38
GRIN2B Q13224 5/20 0.38
CACNA2D1 P54289 1/20 0.38
PIM1 P11309 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MCHR1 Q99705 1/20 0.37
SCN5A Q14524 1/20 0.36
MET P08581 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
LIPE Q05469 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL17454712 0.90 S1PR1 (0.34) S1PR1S1PR3HDAC1HDAC6RXRA
SCHEMBL16030206 0.90 S1PR1 (0.41) S1PR1S1PR3HDAC1HDAC6RXRA
SCHEMBL17454661 0.88 S1PR1 (0.40) S1PR1S1PR3HDAC1HDAC6RXRA
SCHEMBL716513 0.88 RXRA (0.38) S1PR1S1PR3HDAC1HDAC6RXRA
SCHEMBL29037283 0.88 RXRA (0.40) S1PR1S1PR3HDAC1HDAC6RXRA
SCHEMBL23803478 0.88 RXRA (0.38) S1PR1S1PR3HDAC1HDAC6RXRA
SCHEMBL16029980 0.88 HTR2C (0.40) S1PR1S1PR3HDAC1HDAC6RXRA
SCHEMBL16030050 0.87 S1PR1 (0.40) S1PR1S1PR3HDAC1HDAC6RXRA
SCHEMBL21052642 0.87 HDAC1 (0.41) HDAC1HDAC6RXRAGRIN1GRIN2B
SCHEMBL27859306 0.87 ADORA3 (0.39) S1PR1S1PR3HDAC1HDAC6RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551914-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-10-08 US disclosed
US-8551914-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-10-08 US disclosed
US-8551914-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-10-08 US disclosed
EP-2608667-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2013-07-03 EP disclosed
US-20120053216-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-01 US disclosed
US-20120053216-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-01 US disclosed
US-20120053216-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-01 US disclosed
WO-2012027521-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-01 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-20120053216-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLA2G4C S1PR1 1690/4885S1PR3 815/4885HDAC1 2921/4885

“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.