SCHEMBL71018

SCHEMBL71018

CCOC(=O)C1CCC(OC(C(=O)OC(C)(C)C)N2CCC(=O)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TSHR P16473 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 4/20 0.36
GAA P10253 2/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LIPE Q05469 1/20 0.35

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
SCHEMBL2434806 0.84 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL70453 0.81 PKM (0.45) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL2429386 0.73 SMN1; SMN2 (0.39) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL2465398 0.70 HSD17B10 (0.40) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL9833337 0.70 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL1296762 0.69 ALDH1A1 (0.55) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL71665 0.68 ALDH1A1 (0.40) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL9829974 0.68 ALDH1A1 (0.45) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL31045707 0.68 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL4496231 0.68 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2AMAPT

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 216/4885TSHR 2972/4885MEN1 4254/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 ALDH1A1 207/4885TSHR 3047/4885MEN1 4337/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 ALDH1A1 525/4885TSHR 3028/4885MEN1 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.