SCHEMBL10225940

SCHEMBL10225940

CCOC(=O)[C@H]1CC[C@H](OC[C@@H]2[C@@H](OCC)[C@@H](OC)CN2C(=O)OC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
TSHR P16473 2/20 0.38
HCRTR2 O43614 2/20 0.35
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR119 Q8TDV5 2/20 0.31
PKM P14618 2/20 0.31
GAA P10253 1/20 0.30
HTT P42858 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
SCHEMBL92528 0.89 HCRTR2 (0.37) ALDH1A1MEN1KMT2ATSHRHCRTR2
SCHEMBL92529 0.88 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATSHRHCRTR2
SCHEMBL92568 0.87 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ATSHRHCRTR2
SCHEMBL10225943 0.84 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATSHRHCRTR2
SCHEMBL92569 0.82 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ATSHRHCRTR2
SCHEMBL13698642 0.82 MEN1 (0.35) ALDH1A1MEN1KMT2ATSHRHCRTR2
SCHEMBL85286 0.82 MAPT (0.36) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL14254485 0.78 MEN1 (0.39) ALDH1A1MEN1KMT2ATSHRHCRTR2
SCHEMBL13437496 0.78 MEN1 (0.39) ALDH1A1MEN1KMT2ATSHRHCRTR2
SCHEMBL14592647 0.75 HCRTR2 (0.43) ALDH1A1MEN1KMT2ATSHRHCRTR2

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-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 ALDH1A1 216/4885MEN1 4254/4885KMT2A 568/4885

“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.