SCHEMBL9940194

SCHEMBL9940194

O=C(O)CCCCCCCCCn1cc(I)nn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 4/20 0.48
PTGIR P43119 1/20 0.47
HDAC3 O15379 9/20 0.46
HDAC4 P56524 9/20 0.46
HDAC1 Q13547 9/20 0.46
HDAC7 Q8WUI4 9/20 0.46
HDAC2 Q92769 9/20 0.46
HDAC10 Q969S8 9/20 0.46
HDAC11 Q96DB2 9/20 0.46
HDAC8 Q9BY41 9/20 0.46
HDAC6 Q9UBN7 9/20 0.46
HDAC9 Q9UKV0 9/20 0.46
HDAC5 Q9UQL6 9/20 0.46
PTGS1 P23219 4/20 0.44
PTGS2 P35354 4/20 0.44

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
SCHEMBL31635254 0.79 L3MBTL1 (0.61) PTGIRHDAC1
SCHEMBL17085238 0.78 EPHX2 (0.50) EP300PTGIR
SCHEMBL24754053 0.76 SMPD1 (0.53)
SCHEMBL19851582 0.76 HDAC8 (0.76) EP300PTGIRHDAC3HDAC4HDAC1
SCHEMBL15312634 0.74 PTGIR (0.41) EP300PTGIRHDAC3HDAC4HDAC1
SCHEMBL18373083 0.73 HDAC8 (0.76) EP300HDAC3HDAC4HDAC1HDAC7
SCHEMBL18373086 0.73 HDAC8 (0.76) EP300HDAC3HDAC4HDAC1HDAC7
SCHEMBL24642369 0.73 HDAC3 (0.54) EP300HDAC3HDAC4HDAC1HDAC7
SCHEMBL24642739 0.72 HDAC3 (0.54) EP300HDAC3HDAC4HDAC1HDAC7
SCHEMBL19591091 0.72 SMPD1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150320891-A1 Radioiodinated Fatty Acids GE HEALTHCARE LIMITED (GG) 2015-11-12 US disclosed
US-20150320891-A1 Radioiodinated Fatty Acids GE HEALTHCARE LIMITED (GG) 2015-11-12 US disclosed
US-20150320891-A1 Radioiodinated Fatty Acids GE HEALTHCARE LIMITED (GG) 2015-11-12 US disclosed
US-9138493-B2 Radioiodinated fatty acids GE HEALTHCARE LIMITED (GB) 2015-09-22 US disclosed
US-9138493-B2 Radioiodinated fatty acids GE HEALTHCARE LIMITED (GB) 2015-09-22 US disclosed
US-9138493-B2 Radioiodinated fatty acids GE HEALTHCARE LIMITED (GB) 2015-09-22 US disclosed
EP-2651457-B1 RADIOIODINATED FATTY ACIDS GE HEALTHCARE UK LTD (GB) 2014-10-29 EP disclosed
EP-2651457-A1 RADIOIODINATED FATTY ACIDS GE Healthcare UK Limited (GB) 2013-10-23 EP disclosed
US-20130272960-A1 RADIOIODINATED FATTY ACIDS GE HEALTHCARE LIMITED (GB) 2013-10-17 US disclosed
US-20130272960-A1 RADIOIODINATED FATTY ACIDS GE HEALTHCARE LIMITED (GB) 2013-10-17 US disclosed
US-20130272960-A1 RADIOIODINATED FATTY ACIDS GE HEALTHCARE LIMITED (GB) 2013-10-17 US disclosed
WO-2012080434-A1 RADIOIODINATED FATTY ACIDS GE HEALTHCARE LIMITED (GB) 2012-06-21 WO disclosed
WO-2012080434-A1 RADIOIODINATED FATTY ACIDS GE HEALTHCARE LIMITED (GB) 2012-06-21 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 (2 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-20150320891-A1 Radioiodinated Fatty Acids FFAR3, FFAR1, FFAR2 EP300 1458/4885PTGIR 450/4885HDAC3 615/4885
US-20130272960-A1 RADIOIODINATED FATTY ACIDS FFAR3, FFAR1, FFAR2 EP300 1458/4885PTGIR 450/4885HDAC3 615/4885

“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.