SCHEMBL20076321

SCHEMBL20076321

CCOC(=O)C[C@@H](CO)CCC(C)(C)CC

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALDH1A1 P00352 4/20 0.33
TRPA1 O75762 1/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM1 P11229 1/20 0.32
ADORA1 P30542 1/20 0.32
HSD17B10 Q99714 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 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
SCHEMBL19861341 1.00 GAA (0.35) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15183610 0.87 ALDH1A1 (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15183604 0.87 ALDH1A1 (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL19861343 0.84 ALDH1A1 (0.34) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20076506 0.84 LMNA (0.39) GAACYP4F2CYP4A11L3MBTL1
SCHEMBL19861450 0.84 LMNA (0.39) GAACYP4F2CYP4A11L3MBTL1
SCHEMBL19861353 0.83 LMNA (0.36) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15187221 0.79 MGAM (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28262928 0.79 MGAM (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15187255 0.79 MGAM (0.43) GAAMGAMSIMGAM2ALDH1A1

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 2 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

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 GAA 1421/4885MGAM 1606/4885SI 1155/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 GAA 1510/4885MGAM 1845/4885SI 1405/4885

“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.