SCHEMBL16596108

SCHEMBL16596108

c1ccc(OCC2COCOC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNA3 P22001 1/20 0.40
GRM2 Q14416 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
NTRK1 P04629 1/20 0.39
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 1/20 0.39

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
SCHEMBL5481920 0.92 TDP1 (0.62) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL24304923 0.78 APP (0.57) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL1667359 0.78 TDP1 (0.76) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL1990800 0.77 TDP1 (0.57) TDP1CARM1PRMT6DRD2DRD4
SCHEMBL1278162 0.77 TDP1 (0.53) TDP1CARM1PRMT6DRD2DRD4
SCHEMBL10533845 0.74 PARP15 (0.56) TDP1CARM1PRMT6
SCHEMBL17028904 0.74 TDP1 (1.00) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL1583161 0.74 TDP1 (1.00) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL1582872 0.74 TDP1 (1.00) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL31220 0.74 TDP1 (1.00) TDP1ALDH1A1TP53CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3365819-B1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIV OF TECHNOLOGY (ZA) 2023-06-07 EP disclosed
EP-3049084-A4 NOVEL FUNCTIONALIZED 5-(PHENOXYMETHYL)-1,3-DIOXANE ANALOGS EXHIBITNG CYTOCHROME P450 INHIBITION Cortendo AB (publ) (US) 2017-03-15 EP disclosed
US-20160244436-A1 NOVEL FUNCTIONALIZED 5-(PHENOXYMETHYL)-1,3-DIOXANE ANALOGS EXHIBITING CYTOCHROME P450 INHIBITION AND THEIR METHOD OF USE CORTENDO AB (PUBL) 2016-08-25 US disclosed
US-20160244436-A1 NOVEL FUNCTIONALIZED 5-(PHENOXYMETHYL)-1,3-DIOXANE ANALOGS EXHIBITING CYTOCHROME P450 INHIBITION AND THEIR METHOD OF USE CORTENDO AB (PUBL) 2016-08-25 US disclosed
EP-3049084-A1 NOVEL FUNCTIONALIZED 5-(PHENOXYMETHYL)-1,3-DIOXANE ANALOGS EXHIBITNG CYTOCHROME P450 INHIBITION Cortendo AB (publ) (US) 2016-08-03 EP disclosed
EP-3049084-A1 NOVEL FUNCTIONALIZED 5-(PHENOXYMETHYL)-1,3-DIOXANE ANALOGS EXHIBITNG CYTOCHROME P450 INHIBITION Cortendo AB (publ) (US) 2016-08-03 EP disclosed
CN-105764512-A Novel functionalized 5-(phenoxymethyl)-1,3-dioxane analogs exhibiting cytochrome P450 inhibition 科尔泰多公众股份公司 2016-07-13 CN disclosed
CN-105764512-A Novel functionalized 5-(phenoxymethyl)-1,3-dioxane analogs exhibiting cytochrome P450 inhibition 科尔泰多公众股份公司 2016-07-13 CN disclosed
WO-2015048311-A1 NOVEL FUNCTIONALIZED 5-(PHENOXYMETHYL)-1,3-DIOXANE ANALOGS EXHIBITNG CYTOCHROME P450 INHIBITION CORTENDO AB (PUBL) (US) 2015-04-02 WO disclosed
WO-2015048311-A1 NOVEL FUNCTIONALIZED 5-(PHENOXYMETHYL)-1,3-DIOXANE ANALOGS EXHIBITNG CYTOCHROME P450 INHIBITION CORTENDO AB (PUBL) (US) 2015-04-02 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-20160244436-A1 NOVEL FUNCTIONALIZED 5-(PHENOXYMETHYL)-1,3-DIOXANE ANALOGS EXHIBITING CYTOCHROME P450 INHIBITION AND THEIR METHOD OF USE CYP11B1, CYP11B2, CYP21A2 TDP1 964/4885ALDH1A1 1008/4885TP53 406/4885

“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.