SCHEMBL12515792

SCHEMBL12515792

CC(=O)OCCOc1ccc(C(C)(C)c2ccc(O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.49
▸ ESR1 P03372 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ ESR2 Q92731 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ HTR6 P50406 1/20 0.48
▸ ESRRG P62508 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ KDM4E B2RXH2 8/20 0.48
▸ POLB P06746 2/20 0.48
▸ ALDH1A1 P00352 6/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 2/20 0.44

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
SCHEMBL11889494 0.94 AR (0.53) ARKDM4EPOLBALDH1A1MEN1
SCHEMBL10656932 0.89 AR (0.50) ARTSHRKDM4EPOLBALDH1A1
SCHEMBL8321595 0.89 LTA4H (0.52) ALDH1A1LTA4HNR5A1
SCHEMBL14962791 0.88 KDM4E (0.50) ARKDM4EPOLBALDH1A1MEN1
SCHEMBL26113771 0.88 KDM4E (0.62) ARKDM4EPOLBALDH1A1MEN1
SCHEMBL24468248 0.88 KDM4E (0.53) ARHPGDTSHRKDM4EPOLB
SCHEMBL12516025 0.87 AR (0.54) ARKDM4EPOLBALDH1A1MEN1
SCHEMBL29226861 0.87 ESR1 (0.47) ARESR1CYP3A4ESR2HPGD
SCHEMBL5229243 0.86 POLB (0.51) ARESR1CYP3A4ESR2HPGD
SCHEMBL29944931 0.84 SMN1; SMN2 (0.57) KDM4EPOLBALDH1A1MEN1KMT2A

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-2521707-B1 BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2017-06-14 — — EP disclosed
US-9388112-B2 Bisphenol derivatives and their use as androgen receptor activity modulators THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-07-12 — — US disclosed
US-9388112-B2 Bisphenol derivatives and their use as androgen receptor activity modulators THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-07-12 — — US disclosed
US-20130131167-A1 BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-23 — — US disclosed
US-20130131167-A1 BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-23 — — US disclosed
WO-2011082487-A1 BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2011-07-14 — — 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 (1 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-20130131167-A1 BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS CYP19A1, AR, SHBG AR 2/4885ESR1 13/4885CYP3A4 853/4885

“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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