SCHEMBL14968565

SCHEMBL14968565

CCCCCCCOc1ccc(C(C)(C)c2ccc(OCCOCCOCCO)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
CYP3A4 P08684 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
LMNA P02545 2/20 0.66
USP2 O75604 1/20 0.66
ALDH1A1 P00352 1/20 0.66
MAPK1 P28482 1/20 0.66
CASP1 P29466 1/20 0.66
SLCO1B3 Q9NPD5 1/20 0.66
SLCO1B1 Q9Y6L6 1/20 0.66
THRB P10828 1/20 0.53
HTT P42858 1/20 0.53
MAPT P10636 1/20 0.53
NR5A1 Q13285 1/20 0.51
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
PLA2G4B P0C869 1/20 0.46
LTA4H P09960 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL5468192 0.89 SMN1; SMN2 (0.56) MEN1KMT2ACYP3A4SMN1; SMN2LMNA
SCHEMBL466186 0.89 SMN1; SMN2 (0.56) MEN1KMT2ACYP3A4SMN1; SMN2LMNA
SCHEMBL5473974 0.89 SMN1; SMN2 (0.56) MEN1KMT2ACYP3A4SMN1; SMN2LMNA
SCHEMBL5462324 0.89 SMN1; SMN2 (0.56) MEN1KMT2ACYP3A4SMN1; SMN2LMNA
SCHEMBL5459507 0.89 SMN1; SMN2 (0.56) MEN1KMT2ACYP3A4SMN1; SMN2LMNA
SCHEMBL5457352 0.89 SMN1; SMN2 (0.56) MEN1KMT2ACYP3A4SMN1; SMN2LMNA
SCHEMBL12516024 0.89 ALDH1A1 (0.51) MEN1KMT2ACYP3A4SMN1; SMN2LMNA
SCHEMBL466179 0.88 SMN1; SMN2 (0.58) MEN1KMT2ACYP3A4SMN1; SMN2LMNA
SCHEMBL13227405 0.86 NR5A1 (0.61) SMN1; SMN2LMNAMAPTNR5A1TP53
SCHEMBL10013798 0.86 NR5A1 (0.61) SMN1; SMN2LMNAMAPTNR5A1TP53

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 MEN1 1113/4885KMT2A 3079/4885CYP3A4 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.