SCHEMBL14968615

SCHEMBL14968615

CCC(O)C(C)(C)CC(C)(C)OC

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL14964159 0.81 ALDH1A1 (0.36) TSHRALDH1A1TDP1
SCHEMBL14964156 0.79 ALDH1A1 (0.35) TSHRALDH1A1TDP1
SCHEMBL14964160 0.79 ALDH1A1 (0.35) TSHRALDH1A1TDP1
SCHEMBL14904938 0.79 ALDH1A1 (0.35) TSHRALDH1A1TDP1
SCHEMBL16004222 0.79 ALDH1A1 (0.35) TSHRALDH1A1TDP1
SCHEMBL16004219 0.79 ALDH1A1 (0.35) TSHRALDH1A1TDP1
SCHEMBL14904876 0.79 ALDH1A1 (0.35) TSHRALDH1A1TDP1
SCHEMBL14904879 0.79 ALDH1A1 (0.35) TSHRALDH1A1TDP1
SCHEMBL18974031 0.79 ALDH1A1 (0.35) TSHRALDH1A1TDP1
SCHEMBL14964155 0.79 ALDH1A1 (0.35) TSHRALDH1A1TDP1

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 TSHR 642/4885ALDH1A1 666/4885TDP1 4075/4885

“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.