SCHEMBL14962795

SCHEMBL14962795

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 6/20 0.46
▸ MAOB P27338 6/20 0.46
▸ GSTP1 P09211 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ TSHR P16473 4/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41

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 0.93 CA12 (0.49) MAOAMAOBGSTP1CA12CA1
SCHEMBL15803992 0.88 CA12 (0.45) MAOAMAOBGSTP1CA12CA1
SCHEMBL384212 0.87 MAOB (0.56) MAOAMAOBGSTP1CA12CA1
SCHEMBL8507007 0.86 SMN1; SMN2 (0.57) MAOAMAOBGSTP1CA12CA1
SCHEMBL12516724 0.85 ESR1 (0.53) MAOAMAOBGSTP1CA12CA1
SCHEMBL13020406 0.85 CA12 (0.42) MAOAMAOBGSTP1CA12CA1
SCHEMBL18974742 0.83 SMN1; SMN2 (0.46) MAOAMAOBGSTP1CA12CA1
SCHEMBL22182453 0.83 ESR1 (0.47) MAOAMAOBGSTP1CA12CA1
SCHEMBL14962823 0.82 SMN1; SMN2 (0.45) MAOAMAOBGSTP1CA12CA1
SCHEMBL4278557 0.82 CA12 (0.49) MAOAMAOBGSTP1CA12CA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MAOA 1838/4885MAOB 1503/4885GSTP1 1117/4885

“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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