SCHEMBL453814

SCHEMBL453814

O=C(CCc1ccc(OCCCCCc2ccccc2)cc1)N1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.68
TDP1 Q9NUW8 1/20 0.68
FFAR1 O14842 3/20 0.65
HPGD P15428 3/20 0.64
RAB9A P51151 3/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
NAAA Q02083 1/20 0.61
S1PR1 P21453 3/20 0.56
S1PR3 Q99500 1/20 0.56
S1PR5 Q9H228 1/20 0.56
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PKM P14618 1/20 0.54
STAT1 P42224 1/20 0.54

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
SCHEMBL451085 0.84 FFAR1 (0.57) NPC1TDP1FFAR1HPGDRAB9A
SCHEMBL6012105 0.83 ME2 (0.69) NPC1TDP1HPGDRAB9ASMN1; SMN2
SCHEMBL3700679 0.82 NPC1 (1.00) NPC1TDP1HPGDRAB9ASMN1; SMN2
SCHEMBL4656572 0.81 FFAR1 (0.97) FFAR1S1PR1S1PR3S1PR5
SCHEMBL17087869 0.81 NPC1 (0.96) NPC1TDP1HPGDRAB9ASMN1; SMN2
SCHEMBL6285963 0.81 NPC1 (0.96) NPC1TDP1HPGDRAB9ASMN1; SMN2
SCHEMBL15473538 0.80 FFAR1 (0.55) NPC1FFAR1HPGDRAB9AS1PR1
SCHEMBL15473519 0.80 FFAR1 (0.55) NPC1FFAR1HPGDRAB9AS1PR1
SCHEMBL7376148 0.80 NPC1 (0.76) NPC1TDP1HPGDRAB9ASMN1; SMN2
SCHEMBL1746597 0.80 FFAR1 (1.00) FFAR1S1PR1S1PR3S1PR5

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-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US claimed
US-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US disclosed
US-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-8039674-B2 Amino-substituted cyclic compound for EDG-1(endothelial differentiation gene) and/or EDG-6-mediated diseases; transplant rejection, autoimmune diseases, allergies, asthma, multiple organ failure, ischemia, reperfusion injury, lung or liver fibrosis; antitumor agents ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-18 US disclosed
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
EP-1760071-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-07 EP 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-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF S1PR1, S1PR3, EDNRA NPC1 796/4885TDP1 1376/4885FFAR1 50/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 NPC1 828/4885TDP1 1549/4885FFAR1 57/4885

“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.