SCHEMBL2480374

SCHEMBL2480374

CC1(C)OCC(c2ccc3cc(OCc4ccccc4)ccc3c2)([N+](=O)[O-])CO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.46
MAOB P27338 4/20 0.41
MAOA P21397 2/20 0.41
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
MTNR1A P48039 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MMP2 P08253 2/20 0.40

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
SCHEMBL2477735 0.85 PTPN1 (0.36) ALOX5MAOBNPC1MEN1KMT2A
SCHEMBL2450106 0.84 TLR4 (0.38) TLR4TLR2MEN1KMT2AMMP2
SCHEMBL2486118 0.83 MAPT (0.41) ALOX5NPC1MEN1KMT2ARAB9A
SCHEMBL2477979 0.81 MAPT (0.39) ALOX5NPC1MEN1KMT2ARAB9A
SCHEMBL2483263 0.75 ALOX5 (0.44) ALOX5MAOBMAOANPC1RAB9A
SCHEMBL2480228 0.73 PTPN1 (0.41) ALOX5MAOBMAOANPC1MEN1
SCHEMBL3203703 0.70 MAPT (0.44) MAOBMAOANPC1MEN1KMT2A
SCHEMBL15608906 0.69 KCNA4 (0.45) NPC1MEN1KMT2ARAB9AMAPT
SCHEMBL6955327 0.69 MAOB (0.57) ALOX5MAOBNPC1MEN1KMT2A
SCHEMBL27994380 0.69 ALDH1A1 (0.57) ALOX5MAOBMAOATLR4TLR2

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 ALOX5 2821/4885MAOB 3559/4885MAOA 3924/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 ALOX5 3814/4885MAOB 4219/4885MAOA 4183/4885

“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.