SCHEMBL451085

SCHEMBL451085

O=C(CCc1ccc(OCCCCCc2ccccc2)cc1)N1CCC(O)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.57
S1PR1 P21453 4/20 0.50
LTA4H P09960 1/20 0.50
POLB P06746 1/20 0.50
S1PR3 Q99500 1/20 0.50
S1PR5 Q9H228 1/20 0.50
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PLA2G4B P0C869 1/20 0.46
YAP1 P46937 1/20 0.46
NPC1 O15118 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
ME2 P23368 1/20 0.45
ME1 P48163 1/20 0.45
ME3 Q16798 1/20 0.45

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
SCHEMBL12945058 0.85 POLB (0.67) POLBHPGDSMN1; SMN2KMT2ANPC1
SCHEMBL453814 0.84 NPC1 (0.68) FFAR1S1PR1S1PR3S1PR5HPGD
SCHEMBL24533902 0.82 POLB (0.56) POLBHPGDSMN1; SMN2KDM4EMEN1
SCHEMBL26114259 0.78 HPGD (0.60) HPGDSMN1; SMN2KDM4EKMT2ANPC1
SCHEMBL26111732 0.77 POLB (0.59) POLBNPC1TDP1RAB9A
SCHEMBL26113012 0.77 POLB (0.59) POLBNPC1TDP1RAB9A
SCHEMBL26107974 0.77 POLB (0.59) POLBNPC1TDP1RAB9A
SCHEMBL4704100 0.77 POLB (0.75) POLBHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL15473538 0.77 FFAR1 (0.55) FFAR1S1PR1LTA4HPOLBS1PR3
SCHEMBL15473519 0.77 FFAR1 (0.55) FFAR1S1PR1LTA4HPOLBS1PR3

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 FFAR1 50/4885S1PR1 1/4885LTA4H 424/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 FFAR1 57/4885S1PR1 1/4885LTA4H 462/4885

“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.