SCHEMBL10130541

SCHEMBL10130541

COc1cc2oc(=O)cc(CC(=O)OC(C)C)c2cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.52
ALDH1A1 P00352 10/20 0.52
HPGD P15428 7/20 0.52
GLA P06280 3/20 0.50
GAA P10253 2/20 0.50
LCK P06239 1/20 0.47
HSD17B10 Q99714 3/20 0.46
MAPK1 P28482 1/20 0.46
AKR1B1 P15121 1/20 0.44
MCL1 Q07820 1/20 0.44
NQO1 P15559 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MAPT P10636 2/20 0.40
ACHE P22303 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
ALPG P10696 1/20 0.40

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
SCHEMBL5429225 0.87 KDM4E (0.67) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL869935 0.82 KDM4E (0.67) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL12221067 0.82 CYP3A4 (0.53) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL12920147 0.79 ALDH1A1 (0.49) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL12919918 0.78 MCL1 (0.61) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL31344274 0.78 MCL1 (0.47) KDM4EALDH1A1HPGDGLALCK
SCHEMBL67273 0.78 MCL1 (0.47) KDM4EALDH1A1HPGDGLALCK
SCHEMBL14473923 0.75 KDM4E (0.49) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL24025683 0.75 MCL1 (0.47) KDM4EALDH1A1HPGDGLALCK
SCHEMBL12993677 0.75 KDM4E (0.49) KDM4EALDH1A1HPGDGLAGAA

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
US-20160128321-A1 Ladder-Frame Polyether Conjugates UNIVERSITY OF NORTH CAROLINA AT WILMINGTON 2016-05-12 US disclosed
US-20140073604-A1 Ladder-Frame Polyether Conjugates UNIVERSITY OF NORTH CAROLINA AT WILMINGTON (US) 2014-03-13 US disclosed
US-20120077778-A1 Ladder-Frame Polyether Conjugates UNIVERSITY OF NORTH CAROLINA AT WILMINGTON 2012-03-29 US disclosed
US-20120077778-A1 Ladder-Frame Polyether Conjugates UNIVERSITY OF NORTH CAROLINA AT WILMINGTON 2012-03-29 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 (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-20140073604-A1 Ladder-Frame Polyether Conjugates ABCB4, NUP210, BCR KDM4E 4331/4885ALDH1A1 2158/4885HPGD 2918/4885
US-20120077778-A1 Ladder-Frame Polyether Conjugates ABCB4, NUP210, BCR KDM4E 4331/4885ALDH1A1 2158/4885HPGD 2918/4885
US-20160128321-A1 Ladder-Frame Polyether Conjugates ABCB4, NUP210, BCR KDM4E 4331/4885ALDH1A1 2158/4885HPGD 2918/4885

“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.