SCHEMBL14730839

SCHEMBL14730839

CC(C)(c1ccc(OC[C@H](O)CCl)cc1)c1ccc(OC[C@@H](O)CO)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 1.00
HTT P42858 2/20 0.62
HIF1A Q16665 1/20 0.62
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
VDR P11473 6/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
MITF O75030 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
SCHEMBL13736034 1.00 AR (1.00) ARHTTHIF1AKMT2AMAPT
SCHEMBL15257224 1.00 AR (1.00) ARHTTHIF1AKMT2AMAPT
SCHEMBL14730837 1.00 AR (1.00) ARHTTHIF1AKMT2AMAPT
SCHEMBL14730835 1.00 AR (1.00) ARHTTHIF1AKMT2AMAPT
SCHEMBL12267194 1.00 AR (1.00) ARHTTHIF1AKMT2AMAPT
SCHEMBL12989741 1.00 AR (1.00) ARHTTHIF1AKMT2AMAPT
SCHEMBL6131219 0.94 AR (0.88) ARHTTHIF1AKMT2AMAPT
SCHEMBL12515785 0.94 AR (0.88) ARHTTHIF1AKMT2AMAPT
SCHEMBL16281213 0.92 AR (0.85) ARHTTHIF1AKMT2AMAPT
SCHEMBL12363856 0.92 AR (0.85) 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 6 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-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-20130245129-A1 DIGLYCIDIC ETHER DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-09-19 US disclosed
WO-2013028572-A1 FLUORINATED BISPHENOL ETHER COMPOUNDS AND METHODS FOR THEIR USE BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2013-02-28 WO 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-20130245129-A1 DIGLYCIDIC ETHER DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE MAN2B2, UGCG, KLK3 AR 179/4885HTT 4659/4885HIF1A 1235/4885
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.