SCHEMBL16227330

SCHEMBL16227330

CC(C)(C)OCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)CCl)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.74
▸ HTT P42858 3/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ KMT2A Q03164 3/20 0.47
▸ MAPT P10636 5/20 0.44
▸ GAA P10253 1/20 0.44
▸ LMNA P02545 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MITF O75030 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL16281213 0.93 AR (0.85) ARHTTHIF1AKMT2AMAPT
SCHEMBL6131219 0.91 AR (0.88) ARHTTHIF1AKMT2AMAPT
SCHEMBL12515785 0.91 AR (0.88) ARHTTHIF1AKMT2AMAPT
SCHEMBL13998802 0.88 HTT (0.58) ARHTTHIF1AKMT2AMAPT
SCHEMBL13191192 0.87 AR (0.76) ARHTTHIF1AKMT2AMAPT
SCHEMBL17225362 0.87 AR (0.76) ARHTTHIF1AKMT2AMAPT
SCHEMBL16227103 0.87 AR (0.76) ARHTTHIF1AKMT2AMAPT
SCHEMBL16227106 0.87 AR (0.76) ARHTTHIF1AKMT2AMAPT
SCHEMBL21779296 0.87 HTT (0.57) ARHTTHIF1AKMT2AMAPT
SCHEMBL14730835 0.85 AR (1.00) ARHTTHIF1AKMT2AMAPT

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.

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