SCHEMBL679006

SCHEMBL679006

CCN(CC)CCSCC(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.39
CHRM1 P11229 3/20 0.37
CHRM2 P08172 3/20 0.37
CHRM4 P08173 2/20 0.37
CHRM3 P20309 2/20 0.37
FAAH O00519 4/20 0.37
CES2 O00748 2/20 0.37
PLA2G6 O60733 1/20 0.37
MAPT P10636 1/20 0.35
CHRM5 P08912 1/20 0.31
BCHE P06276 1/20 0.30

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
SCHEMBL677698 0.80 HTR1A (0.41) CES1FAAHCES2PLA2G6
SCHEMBL890300 0.78 MAPT (0.50) CHRM1CHRM2CHRM4CHRM3MAPT
SCHEMBL13461104 0.78 CES2 (0.50) CES1CHRM1CHRM2CHRM4CHRM3
SCHEMBL9522178 0.78 MAPT (0.38) CES1CHRM1CHRM2CHRM4CHRM3
SCHEMBL14535086 0.74 CES1 (0.68) CES1FAAHCES2PLA2G6MAPT
SCHEMBL6129960 0.73 CYP2D6 (0.40) CES1FAAHCES2PLA2G6
SCHEMBL29193673 0.73 KDM1A (0.35) CHRM1CHRM2CHRM4CHRM3MAPT
SCHEMBL11685475 0.73 MEN1 (0.39) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL14950068 0.72 FAAH (0.67) CES1FAAHCES2PLA2G6MAPT
SCHEMBL19928053 0.72 CES1 (0.39) CES1FAAHCES2PLA2G6

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-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 CES1 2170/4885CHRM1 283/4885CHRM2 424/4885

“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.