SCHEMBL2433932

SCHEMBL2433932

C=CCOC(OC1CCC(C(=O)OCC)CC1)(C(=O)OC(C)(C)C)N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
FKBP1A P62942 2/20 0.32
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL2438309 1.00 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL71666 0.84 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL73422 0.79 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL73423 0.79 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL71394 0.78 PKM (0.42) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL71152 0.78 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL72711 0.78 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL71153 0.78 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL72710 0.78 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATSHRMAPT
Hydrochloric Acid SCHEMBL72343 0.78 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATSHRMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 ALDH1A1 981/4885MEN1 1582/4885KMT2A 344/4885

“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.