SCHEMBL12516724

SCHEMBL12516724

C#CCOc1ccc(C(C)(C)c2ccc(O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.53
▸ ESR2 Q92731 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ TSHR P16473 3/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ AR P10275 2/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ SLC6A4 P31645 1/20 0.53
▸ HTR6 P50406 1/20 0.53
▸ ESRRG P62508 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.47
▸ MGAM O43451 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SI P14410 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46
▸ GSTP1 P09211 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42

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
SCHEMBL8161375 0.91 CA12 (0.49) HPGDTSHRARALDH1A1GSTP1
SCHEMBL14222920 0.90 ESR1 (0.47) ESR1ESR2HPGDTSHRCYP3A4
SCHEMBL15803992 0.86 CA12 (0.45) HPGDTSHRARHSD17B10ALDH1A1
SCHEMBL975819 0.86 CA12 (0.53) ESR1ESR2SLC6A2SLC6A3MGAM
SCHEMBL8507007 0.85 SMN1; SMN2 (0.57) ESR1ESR2CYP3A4ALDH1A1GSTP1
SCHEMBL14962795 0.85 MAOA (0.46) HPGDTSHRARALDH1A1GAA
SCHEMBL27234310 0.84 ESR1 (0.50) ESR1ESR2HPGDTSHRCYP3A4
SCHEMBL13020406 0.83 CA12 (0.42) HPGDTSHRARHSD17B10ALDH1A1
SCHEMBL18974039 0.83 KDM4E (0.47) HPGDTSHRCYP3A4ARALDH1A1
SCHEMBL18974742 0.82 SMN1; SMN2 (0.46) HPGDTSHRALDH1A1GSTP1CA12

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 7 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
WO-2009007115-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-01-15 — — 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 ESR1 13/4885ESR2 15/4885HPGD 993/4885

“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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