SCHEMBL434697

SCHEMBL434697

C/C=C(/C=C/C=C/CCCCCCCCCCC)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.53
KDM4E B2RXH2 3/20 0.53
FAAH O00519 3/20 0.51
SOAT1 P35610 2/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
CNR1 P21554 2/20 0.50
CNR2 P34972 2/20 0.50
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL434698 1.00 FASN (0.53) FASNKDM4EFAAHSOAT1MEN1
SCHEMBL429605 0.85 FASN (0.59) FASNKDM4EFAAHCYP1A2CYP2C19
SCHEMBL429606 0.85 FASN (0.59) FASNKDM4EFAAHCYP1A2CYP2C19
SCHEMBL429511 0.84 FAAH (0.49) FASNKDM4EFAAHSOAT1MEN1
SCHEMBL429510 0.84 FAAH (0.49) FASNKDM4EFAAHSOAT1MEN1
SCHEMBL6473494 0.83 FASN (0.56) FASNKDM4EFAAHCYP1A2CYP2C19
SCHEMBL6473491 0.83 FASN (0.56) FASNKDM4EFAAHCYP1A2CYP2C19
SCHEMBL4437384 0.82 ALDH1A1 (0.65) FASNKDM4EFAAHSOAT1MEN1
SCHEMBL943538 0.82 ALDH1A1 (0.65) FASNKDM4EFAAHSOAT1MEN1
SCHEMBL5614117 0.82 ALDH1A1 (0.65) FASNKDM4EFAAHSOAT1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507221-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO Aquinox Pharmaceuticals Inc. (CA) 2012-10-10 EP disclosed
US-8101605-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS INC. (CA) 2012-01-24 US disclosed
US-20110136802-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2011-06-09 US disclosed
WO-2011069118-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2011-06-09 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-20110136802-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPM1D, PTPRO, PPM1G FASN 4622/4885KDM4E 2971/4885FAAH 4452/4885

“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.