SCHEMBL20073866

SCHEMBL20073866

O=C(O)CCCCCn1cc(CCCCCCNC(=O)c2ccc(C(=O)NCCOCCOCCOCCNC(=O)c3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc43)cc2)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.45
JAK2 O60674 1/20 0.42
FTO Q9C0B1 2/20 0.42
RORC P51449 1/20 0.41
LGALS1 P09382 2/20 0.41
LGALS3 P17931 2/20 0.41
KCNH2 Q12809 2/20 0.41
MMP14 P50281 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
DRD3 P35462 3/20 0.39
TTR P02766 1/20 0.39
NT5E P21589 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL17037281 0.91 ALB (0.52) ALB
SCHEMBL17037280 0.89 ALB (0.45) ALBJAK2FTORORCLGALS1
SCHEMBL917141 0.82 ALB (0.58) ALBJAK2FTOKCNH2MMP14
SCHEMBL31172568 0.79 ALB (0.55) ALBJAK2FTOKCNH2MMP14
SCHEMBL20723482 0.78 FTO (0.56) ALBJAK2FTORORCLGALS1
SCHEMBL25942498 0.78 LGALS1 (0.52) ALBJAK2FTORORCLGALS1
Isothiocyanate SCHEMBL27141128 0.78 ALB (0.54) ALBJAK2FTOLGALS1LGALS3
SCHEMBL314241 0.77 ALB (0.51) ALBJAK2FTOKCNH2NT5E
SCHEMBL995937 0.76 FTO (0.49) ALBJAK2FTORORCLGALS1
SCHEMBL23599906 0.76 FTO (0.51) ALBJAK2FTORORCKCNH2

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-20180104354-A1 CHIMERIC ANTIGEN RECEPTOR T CELL SWITCHES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2018-04-19 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-20180104354-A1 CHIMERIC ANTIGEN RECEPTOR T CELL SWITCHES AND USES THEREOF ICOS, HAVCR2, CD2 ALB 3148/4885JAK2 1901/4885FTO 3696/4885

“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.