SCHEMBL19861329

SCHEMBL19861329

CCCCCCCC(C)(C)CC(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
CPT2 P23786 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
NAAA Q02083 1/20 0.41
DGKA P23743 1/20 0.41
SMPD1 P17405 3/20 0.41
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
CES2 O00748 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR3 Q9UBY5 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
SCHEMBL20457453 1.00 FFAR1 (0.48) FFAR1CPT2TDP1MEN1MAPT
SCHEMBL9311001 0.98 FFAR1 (0.45) FFAR1CPT2TDP1MEN1MAPT
SCHEMBL15012601 0.94 TDP1 (0.54) FFAR1CPT2TDP1MEN1MAPT
SCHEMBL2991171 0.94 TDP1 (0.54) FFAR1CPT2TDP1MEN1MAPT
SCHEMBL16305049 0.93 FFAR1 (0.48) FFAR1CPT2TDP1MEN1MAPT
SCHEMBL16305046 0.93 FFAR1 (0.48) FFAR1CPT2TDP1MEN1MAPT
SCHEMBL6898390 0.92 GAA (0.43) FFAR1CPT2TDP1MEN1MAPT
SCHEMBL27628076 0.89 TDP1 (0.48) FFAR1CPT2TDP1MEN1MAPT
SCHEMBL27608890 0.89 TDP1 (0.48) FFAR1CPT2TDP1MEN1MAPT
SCHEMBL27628192 0.89 TDP1 (0.48) FFAR1CPT2TDP1MEN1MAPT

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-10647747-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2020-05-12 US disclosed
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2018-04-19 US disclosed
US-9890198-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2018-02-13 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 (2 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-10647747-B2 Cyclosporin derivatives and uses thereof FKBP5, FKBP1B, MALT1 FFAR1 3040/4885CPT2 769/4885TDP1 1241/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 FFAR1 2686/4885CPT2 848/4885TDP1 1618/4885

“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.