SCHEMBL2481675

SCHEMBL2481675

CC1(C)OCC(N)(c2ccc3cc(Oc4ccc(Oc5ccccc5)cc4)ccc3c2)CO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX5 P09917 1/20 0.36
ABL1 P00519 1/20 0.35
MAOB P27338 2/20 0.35
BCHE P06276 4/20 0.34
ACHE P22303 4/20 0.34
MAOA P21397 2/20 0.34
LTA4H P09960 1/20 0.34

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
SCHEMBL2483263 0.88 ALOX5 (0.44) MMP2MMP13L3MBTL1NPC1MAPT
SCHEMBL2450106 0.79 TLR4 (0.38) MMP2MMP3MMP9MMP8MMP13
SCHEMBL15630944 0.74 CHRNB2 (0.39)
SCHEMBL9789564 0.70 LTA4H (0.67) TDP1L3MBTL1NPC1TP53MAPT
SCHEMBL25156542 0.67 LTA4H (0.50) MMP2MMP3MMP9MMP8MMP13
SCHEMBL25156126 0.66 MAOB (0.50) MAPTSMN1; SMN2MAOBLTA4HGAA
SCHEMBL9515088 0.66 LTA4H (0.60) L3MBTL1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL29860094 0.66 LTA4H (0.60) TDP1L3MBTL1MAPTALOX5MAOB
SCHEMBL4402154 0.66 LTA4H (0.60) TDP1L3MBTL1MAPTALOX5MAOB
SCHEMBL17018516 0.66 SLC6A4 (0.47) L3MBTL1SMN1; SMN2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364088-B1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC INC (US) 2014-04-16 EP disclosed
US-8546359-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2013-10-01 US disclosed
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2013-03-07 US disclosed
US-8269043-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2012-09-18 US disclosed
EP-2364088-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 EP disclosed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US disclosed
WO-2010051030-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2010-05-06 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-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 MMP2 4777/4885MMP3 4198/4885MMP9 4865/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 MMP2 4641/4885MMP3 4290/4885MMP9 4864/4885

“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.