SCHEMBL16600197

SCHEMBL16600197

Brc1ccc(COC2COC(c3ccccc3)OC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.40
FABP5 Q01469 1/20 0.40
KDM1A O60341 3/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C19 P33261 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
NAAA Q02083 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
IDO1 P14902 1/20 0.36
SLC18A3 Q16572 3/20 0.36

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
SCHEMBL11635684 0.89 CTSL (0.45) CARM1PRMT6MEN1KMT2ACYP2C19
SCHEMBL1560842 0.89 CTSL (0.45) CARM1PRMT6MEN1KMT2ACYP2C19
SCHEMBL11637675 0.89 CTSL (0.45) CARM1PRMT6MEN1KMT2ACYP2C19
SCHEMBL11632428 0.85 NAAA (0.42) MEN1KMT2ACYP2C19CTSLCTSB
SCHEMBL11634473 0.85 MEN1 (0.42) KDM1ACARM1PRMT6MEN1KMT2A
SCHEMBL11634478 0.85 MEN1 (0.42) KDM1ACARM1PRMT6MEN1KMT2A
SCHEMBL11633899 0.85 SLC18A3 (0.48) FABP7FABP5KDM1ACARM1PRMT6
SCHEMBL17434601 0.85 APP (0.42) MEN1KMT2ACYP2C19CTSLCTSB
SCHEMBL11633902 0.85 SLC18A3 (0.48) FABP7FABP5KDM1ACARM1PRMT6
SCHEMBL11632425 0.85 NAAA (0.42) MEN1KMT2ACYP2C19CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 FABP7 370/4885FABP5 860/4885KDM1A 3015/4885

“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.