SCHEMBL3174072

SCHEMBL3174072

c1ccc(OCCOCCOC2CCCCO2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KDM4C Q9H3R0 1/20 0.53
FOXM1 Q08050 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KCNA3 P22001 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
EPHX2 P34913 1/20 0.38
CTSK P43235 1/20 0.38
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL3806558 0.96 MEN1 (0.61) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL1007489 0.94 MEN1 (0.65) MEN1KMT2AKDM4CFOXM1NPC1
SCHEMBL25278062 0.90 FOXM1 (0.58) MEN1KMT2AKDM4CFOXM1NPC1
SCHEMBL27083259 0.87 MEN1 (0.66) MEN1KMT2AKDM4CL3MBTL1SMN1; SMN2
SCHEMBL17888633 0.86 MEN1 (0.55) MEN1KMT2AKDM4CFOXM1NPC1
SCHEMBL15449692 0.86 MEN1 (0.55) MEN1KMT2AKDM4CFOXM1NPC1
SCHEMBL25263932 0.86 MEN1 (0.58) MEN1KMT2AKDM4CFOXM1NPC1
SCHEMBL15437000 0.86 MEN1 (0.55) MEN1KMT2AKDM4CFOXM1NPC1
SCHEMBL15436949 0.86 MEN1 (0.55) MEN1KMT2AKDM4CFOXM1NPC1
SCHEMBL25221323 0.85 KMT2A (0.57) MEN1KMT2AKDM4CFOXM1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016260-A1 AGONISTS OF SPHINGOSINE-1 PHOSPHATE RECEPTOR (SLP) PRAECIS PHARMACEUTICALS INCORPORATED (US) 2010-01-21 US disclosed
EP-2046766-A1 AGONISTS OF THE SPHINGOSINE- 1- PHOSPHATE RECEPTOR (SLP) Praecis Pharmaceuticals Incorporated (US) 2009-04-15 EP disclosed
US-20080070866-A1 Chemical compounds PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
WO-2008016674-A1 AGONISTS OF THE SPHINGOSINE- 1- PHOSPHATE RECEPTOR (SLP) PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-02-07 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 (2 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-20100016260-A1 AGONISTS OF SPHINGOSINE-1 PHOSPHATE RECEPTOR (SLP) S1PR1, S1PR2, S1PR5 MEN1 3460/4885KMT2A 3977/4885KDM4C 4600/4885
US-20080070866-A1 Chemical compounds S1PR1, S1PR2, S1PR5 MEN1 2445/4885KMT2A 1886/4885KDM4C 2212/4885

“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.