SCHEMBL16227488

SCHEMBL16227488

CC(=O)OC[C@H](O)COc1ccc(C(C)(C)c2ccc(OC[C@H](O)CCl)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.69
HTT P42858 2/20 0.56
HIF1A Q16665 1/20 0.56
MAPT P10636 5/20 0.49
LMNA P02545 3/20 0.49
POLB P06746 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP1A2 P05177 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
MITF O75030 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.40
USP2 O75604 1/20 0.39

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
SCHEMBL16227489 1.00 AR (0.69) ARHTTHIF1AMAPTLMNA
SCHEMBL16232934 1.00 AR (0.69) ARHTTHIF1AMAPTLMNA
SCHEMBL16227487 1.00 AR (0.69) ARHTTHIF1AMAPTLMNA
SCHEMBL16232933 1.00 AR (0.69) ARHTTHIF1AMAPTLMNA
SCHEMBL6131228 0.93 AR (0.62) ARHTTHIF1AMAPTLMNA
SCHEMBL16233004 0.91 AR (0.62) ARHTTHIF1AMAPTLMNA
SCHEMBL17225363 0.91 AR (0.62) ARHTTHIF1AMAPTLMNA
SCHEMBL17225365 0.91 AR (0.62) ARHTTHIF1AMAPTLMNA
SCHEMBL17225364 0.91 AR (0.62) ARHTTHIF1AMAPTLMNA
SCHEMBL19459954 0.90 AR (0.57) ARHTTHIF1AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2994451-A1 ESTER DERIVATIVES OF ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE British Columbia Cancer Agency Branch (CA) 2016-03-16 EP disclosed
US-20160068466-A1 ESTER DERIVATIVES OF ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-03-10 US disclosed
US-20160068466-A1 ESTER DERIVATIVES OF ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-03-10 US disclosed
US-20160068466-A1 ESTER DERIVATIVES OF ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-03-10 US disclosed
US-9173939-B2 Ester derivatives of androgen receptor modulators and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-11-03 US disclosed
US-9173939-B2 Ester derivatives of androgen receptor modulators and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-11-03 US disclosed
US-9173939-B2 Ester derivatives of androgen receptor modulators and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-11-03 US disclosed
US-20140335080-A1 ESTER DERIVATIVES OF ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-11-13 US disclosed
US-20140335080-A1 ESTER DERIVATIVES OF ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-11-13 US disclosed
US-20140335080-A1 ESTER DERIVATIVES OF ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-11-13 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-20160068466-A1 ESTER DERIVATIVES OF ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, ESRRA, KLK3 AR 1/4885HTT 3604/4885HIF1A 4638/4885
US-20140335080-A1 ESTER DERIVATIVES OF ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, ESRRA, KLK3 AR 1/4885HTT 3604/4885HIF1A 4638/4885

“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.