SCHEMBL429605

SCHEMBL429605

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.59
KDM4E B2RXH2 1/20 0.58
CNR1 P21554 2/20 0.51
CNR2 P34972 2/20 0.51
FAAH O00519 3/20 0.50
TERT O14746 3/20 0.49
MAPT P10636 2/20 0.49
BLM P54132 2/20 0.49
HSD17B10 Q99714 2/20 0.49
FABP4 P15090 2/20 0.49
PTPN1 P18031 2/20 0.49
PPARG P37231 2/20 0.49
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
GMNN O75496 1/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL429606 1.00 FASN (0.59) FASNKDM4ECNR1CNR2FAAH
SCHEMBL6473494 0.98 FASN (0.56) FASNKDM4ECNR1CNR2FAAH
SCHEMBL6473491 0.98 FASN (0.56) FASNKDM4ECNR1CNR2FAAH
SCHEMBL434698 0.85 FASN (0.53) FASNKDM4ECNR1CNR2FAAH
SCHEMBL434697 0.85 FASN (0.53) FASNKDM4ECNR1CNR2FAAH
SCHEMBL23067684 0.82 PTPN1 (0.67) FASNKDM4ECNR1CNR2FAAH
SCHEMBL1614408 0.82 PTPN1 (0.67) FASNKDM4ECNR1CNR2FAAH
SCHEMBL2785794 0.82 PTPN1 (0.67) FASNKDM4ECNR1CNR2FAAH
SCHEMBL7806557 0.82 PTPN1 (0.67) FASNKDM4ECNR1CNR2FAAH
SCHEMBL21411170 0.82 PTPN1 (0.67) FASNKDM4ECNR1CNR2FAAH

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 FASN 4622/4885KDM4E 2971/4885CNR1 1146/4885

“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.