SCHEMBL71822

SCHEMBL71822

CCOC(=O)C1CCC(OC(C(=O)OC(C)(C)C)(N2CCCC2)N2CCN(C3CCCCC3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
TSHR P16473 2/20 0.40
SIGMAR1 Q99720 2/20 0.37
MAPT P10636 2/20 0.34
FKBP1A P62942 2/20 0.34
POLB P06746 2/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL71821 1.00 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1TSHRSIGMAR1
SCHEMBL87806 0.99 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1TSHRSIGMAR1
SCHEMBL87805 0.99 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1TSHRSIGMAR1
SCHEMBL88243 0.96 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL88242 0.96 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL73427 0.94 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL72710 0.92 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL72711 0.92 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL73422 0.90 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL73423 0.90 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRMAPT

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 5 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
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 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 (3 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 216/4885KMT2A 568/4885MEN1 4254/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 ALDH1A1 207/4885KMT2A 656/4885MEN1 4337/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 ALDH1A1 525/4885KMT2A 881/4885MEN1 4226/4885

“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.