SCHEMBL9934981

SCHEMBL9934981

CCOC(=O)C1CCC(OC(C(=O)OC(C)(C)C)(N2CCCC2)N2CC(N3CCOCC3)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 2/20 0.37
LGMN Q99538 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 2/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PKM P14618 1/20 0.32
RCE1 Q9Y256 1/20 0.31

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
SCHEMBL72241 1.00 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATSHRLGMN
SCHEMBL70942 0.91 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ATSHRLGMN
SCHEMBL70943 0.91 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ATSHRLGMN
SCHEMBL72412 0.89 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATSHRLGMN
SCHEMBL72086 0.87 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ATSHRLGMN
SCHEMBL4942020 0.87 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ATSHRLGMN
SCHEMBL73423 0.87 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATSHRLGMN
SCHEMBL73422 0.87 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATSHRLGMN
SCHEMBL88242 0.86 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL88243 0.86 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATSHRPOLB

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-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
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 (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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 ALDH1A1 216/4885MEN1 4254/4885KMT2A 568/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 ALDH1A1 207/4885MEN1 4337/4885KMT2A 656/4885

“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.