SCHEMBL506240

SCHEMBL506240

CCCCCCCCCCCCCCNC(=O)C(CO)NC(=O)C1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.65
CHRNB2 P17787 5/20 0.53
CHRNB4 P30926 5/20 0.53
CHRNA3 P32297 5/20 0.53
CHRNA4 P43681 5/20 0.53
GRIN1 Q05586 2/20 0.53
GRIN2A Q12879 2/20 0.53
GRM1 Q13255 2/20 0.53
PLG P00747 1/20 0.51
PLAU P00749 1/20 0.51
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
TSHR P16473 1/20 0.50
GRIA1 P42261 1/20 0.49
METAP2 P50579 1/20 0.49
EPHX1 P07099 7/20 0.48
EPHX2 P34913 1/20 0.48

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
SCHEMBL506239 1.00 NAAA (0.65) NAAACHRNB2CHRNB4CHRNA3CHRNA4
Cyclohexanecarboxylic Acid Pentadecylamide SCHEMBL28082344 0.80 NAAA (1.00) NAAAEPHX1EPHX2
SCHEMBL27761005 0.80 NAAA (1.00) NAAAEPHX1EPHX2
SCHEMBL28082867 0.80 NAAA (1.00) NAAAEPHX1EPHX2
SCHEMBL8847632 0.80 NAAA (1.00) NAAAEPHX1EPHX2
SCHEMBL28832373 0.80 NAAA (1.00) NAAAEPHX1EPHX2
SCHEMBL28082885 0.80 NAAA (1.00) NAAAEPHX1EPHX2
SCHEMBL17694453 0.80 NAAA (1.00) NAAAEPHX1EPHX2
SCHEMBL6267383 0.80 NAAA (1.00) NAAAEPHX1EPHX2
SCHEMBL28082415 0.80 NAAA (1.00) NAAAEPHX1EPHX2

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-8853452-B2 Compounds, their syntheses, compositions, and methods to treat cancer THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2014-10-07 US disclosed
US-20120027844-A1 COMPOUNDS, THEIR SYNTHESES, COMPOSITIONS, AND METHODS TO TREAT CANCER XAVIER UNIVERSITY OF LOUISIANA (US) 2012-02-02 US disclosed
WO-2010093615-A2 COMPOUNDS, THEIR SYNTHESES, COMPOSITIONS, AND METHODS TO TREAT CANCER TULANE UNIVERSITY (US) 2010-08-19 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-20120027844-A1 COMPOUNDS, THEIR SYNTHESES, COMPOSITIONS, AND METHODS TO TREAT CANCER SGMS1, PHOSPHO1, MCL1 NAAA 987/4885CHRNB2 4838/4885CHRNB4 4831/4885

“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.