SCHEMBL433772

SCHEMBL433772

CC=CC=C(C=CCCCCCCCCCCC)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.49
SOAT1 P35610 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
KMT2A Q03164 1/20 0.49
PTPN1 P18031 1/20 0.48
KDM4E B2RXH2 2/20 0.45
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
FASN P49327 1/20 0.42
CNR1 P21554 1/20 0.42
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL433771 1.00 FAAH (0.49) FAAHSOAT1CYP1A2CYP2C19MEN1
SCHEMBL29152379 1.00 FAAH (0.49) FAAHSOAT1CYP1A2CYP2C19MEN1
SCHEMBL3376256 0.90 FAAH (0.51) FAAHSOAT1CYP1A2CYP2C19MEN1
SCHEMBL429510 0.88 FAAH (0.49) FAAHSOAT1CYP1A2CYP2C19MEN1
SCHEMBL429511 0.88 FAAH (0.49) FAAHSOAT1CYP1A2CYP2C19MEN1
SCHEMBL432723 0.86 PTPN1 (0.53) FAAHCYP1A2CYP2C19KMT2APTPN1
SCHEMBL432724 0.86 PTPN1 (0.53) FAAHCYP1A2CYP2C19KMT2APTPN1
SCHEMBL434694 0.81 FAAH (0.51) FAAHSOAT1CYP1A2CYP2C19MEN1
SCHEMBL434695 0.81 FAAH (0.51) FAAHSOAT1CYP1A2CYP2C19MEN1
SCHEMBL434697 0.78 FASN (0.53) FAAHSOAT1CYP1A2CYP2C19MEN1

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
WO-2011069118-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2011-06-09 WO disclosed
US-20110136802-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2011-06-09 US 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 FAAH 4452/4885SOAT1 506/4885CYP1A2 4602/4885

“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.