SCHEMBL22006241

SCHEMBL22006241

CCCC(C)C(=O)COCCCCCN(C)CC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.39
SPHK1 Q9NYA1 1/20 0.34
KDM5A P29375 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
PLA2G2C Q5R387 1/20 0.32
GGPS1 O95749 3/20 0.32
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 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
SCHEMBL20234217 0.85 CES2 (0.40) CES2SPHK1KDM5AKDM4CGGPS1
SCHEMBL25769655 0.77 CES2 (0.41) CES2PLA2G2C
SCHEMBL20133360 0.76 KDM5A (0.33) CES2SPHK1KDM5AKDM4C
SCHEMBL20206397 0.75 CES2 (0.42) CES2KDM5AKDM4CS1PR2S1PR1
SCHEMBL25478324 0.74 CES2 (0.37) CES2
SCHEMBL25773461 0.72 CES2 (0.40) CES2SPHK1PLA2G2C
SCHEMBL24673072 0.72 CES2 (0.39) CES2PLA2G2C
SCHEMBL26383624 0.72 EPHX2 (0.35) CES2
SCHEMBL25706227 0.72 MEN1 (0.34) CES2
SCHEMBL22837702 0.72 PIK3CD (0.34) SPHK1KDM5AKDM4CGGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200155689-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2020-05-21 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-20200155689-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 CES2 2381/4885SPHK1 4485/4885KDM5A 2803/4885

“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.