SCHEMBL14769307

SCHEMBL14769307

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
ALDH1A1 P00352 9/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL85289 0.88 MAPT (0.38) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL85472 0.86 MAPT (0.37) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL85286 0.85 MAPT (0.36) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL85517 0.82 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13698585 0.81 MAPT (0.33) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3021911 0.75 MAPT (0.46) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL2341968 0.74 MAPT (0.51) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL2341343 0.74 MAPT (0.51) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL2345801 0.74 MAPT (0.51) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL2341347 0.74 MAPT (0.51) MAPTALDH1A1MEN1KMT2ACYP3A4

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-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 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-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 MAPT 4773/4885ALDH1A1 207/4885SMN1; SMN2 4702/4885

“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.