SCHEMBL16226561

SCHEMBL16226561

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.76
HTT P42858 1/20 0.60
HIF1A Q16665 1/20 0.60
SLC6A2 P23975 2/20 0.51
PTGS1 P23219 1/20 0.51
ESR1 P03372 3/20 0.50
ESR2 Q92731 3/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR6 P50406 1/20 0.50
ESRRG P62508 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ADRB3 P13945 4/20 0.46
ADRB2 P07550 3/20 0.46
ADRB1 P08588 3/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL5250019 1.00 AR (0.76) ARHTTHIF1ASLC6A2PTGS1
SCHEMBL26862685 0.98 AR (0.74) ARHTTHIF1ASLC6A2PTGS1
SCHEMBL12363856 0.94 AR (0.85) ARHTTHIF1ATSHRKMT2A
SCHEMBL868711 0.94 AR (0.85) ARHTTHIF1ATSHRKMT2A
SCHEMBL13567688 0.92 HTT (0.65) ARHTTHIF1ASLC6A2PTGS1
SCHEMBL12570312 0.92 AR (0.82) ARHTTHIF1ATSHRKMT2A
SCHEMBL11658489 0.89 AR (0.78) ARHTTHIF1ATSHRKMT2A
SCHEMBL13513140 0.88 AR (0.76) ARHTTHIF1ATSHRKMT2A
SCHEMBL20851321 0.88 HTT (0.60) ARHTTHIF1ASLC6A2PTGS1
SCHEMBL18821892 0.88 AR (0.76) ARHTTHIF1ATSHRKMT2A

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.