SCHEMBL2835142

SCHEMBL2835142

CC(CCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC(=O)C(C)CCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 16/20 0.45
KCNH2 Q12809 2/20 0.39
GRIN2D O15399 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
OPRM1 P35372 2/20 0.38
CACNA1F O60840 1/20 0.38
ABCB1 P08183 1/20 0.38
CYP2B6 P20813 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
MRGPRX2 Q96LB1 1/20 0.38

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
SCHEMBL2835140 0.86 KIF11 (0.53) KIF11
SCHEMBL2840135 0.80 KIF11 (0.43) KIF11KCNH2
SCHEMBL2840134 0.78 KIF11 (0.46) KIF11
SCHEMBL6026088 0.74 FFAR4 (0.45) KIF11
SCHEMBL3427137 0.74 FFAR4 (0.45) KIF11
SCHEMBL34261 0.73 KIF11 (0.56) KIF11
SCHEMBL17189279 0.72 KIF11 (0.53) KIF11KCNH2
SCHEMBL4397129 0.72 KIF11 (0.78) KIF11
SCHEMBL27608746 0.72 KIF11 (0.78) KIF11
SCHEMBL8035494 0.72 CYP4F2 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100228012-A1 PENDANT FATTY ACID IMAGING AGENTS MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-7556794-B2 Pendant fatty acid imaging agents MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2009-07-07 US disclosed
US-20070128119-A1 Pendant fatty acid imaging agents MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2007-06-07 US disclosed
US-7179444-B2 Pendant fatty acid imaging agents MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2007-02-20 US disclosed
EP-1490114-A1 PENDANT FATTY ACID IMAGING AGENTS Biostream, Inc. (US) 2004-12-29 EP disclosed
US-20040081616-A1 Pendant fatty acid imaging agents BIOSTREAM, INC. 2004-04-29 US disclosed
WO-2003084575-A1 PENDANT FATTY ACID IMAGING AGENTS BIOSTREAM, INC. (US) 2003-10-16 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 (3 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-20070128119-A1 Pendant fatty acid imaging agents FABP3, CPT1B, FABP1 KIF11 1443/4885KCNH2 4040/4885GRIN2D 4789/4885
US-20100228012-A1 PENDANT FATTY ACID IMAGING AGENTS FABP3, CPT1B, FABP1 KIF11 1443/4885KCNH2 4040/4885GRIN2D 4789/4885
US-20040081616-A1 Pendant fatty acid imaging agents FABP3, CPT1B, FABP1 KIF11 1443/4885KCNH2 4040/4885GRIN2D 4789/4885

“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.