SCHEMBL453501

SCHEMBL453501

NCCCc1ccc(OCCCc2ccccc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.63
LTA4H P09960 2/20 0.62
MAOA P21397 1/20 0.59
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
HTR2A P28223 1/20 0.57
IDO1 P14902 1/20 0.55
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
S1PR1 P21453 1/20 0.54
S1PR3 Q99500 1/20 0.54
TAAR1 Q96RJ0 1/20 0.53
EPHX2 P34913 1/20 0.53

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
SCHEMBL4658022 0.93 FFAR1 (0.62) FFAR1LTA4HMAOANPC1RAB9A
SCHEMBL13886620 0.93 HTR2A (0.68) FFAR1LTA4HNPC1RAB9AHTR2A
SCHEMBL9819826 0.89 FFAR1 (0.63) FFAR1LTA4HNPC1RAB9AHTR2A
SCHEMBL11764067 0.88 LTA4H (0.50) FFAR1LTA4HTAAR1
SCHEMBL1586637 0.87 HTR2A (0.66) FFAR1LTA4HMAOANPC1RAB9A
SCHEMBL3172626 0.87 LTA4H (0.70) FFAR1LTA4HMAOARAB9AEPHX2
SCHEMBL450741 0.86 HTR2A (0.63) FFAR1LTA4HMAOANPC1RAB9A
Hydrochloric Acid SCHEMBL6572144 0.85 LTA4H (0.56) FFAR1LTA4HTAAR1
SCHEMBL2207165 0.84 MAOA (0.53) MAOAIDO1DRD2DRD4DRD3
SCHEMBL839323 0.84 DRD2 (0.71) FFAR1MAOANPC1RAB9AIDO1

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 5 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 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 50/4885LTA4H 424/4885MAOA 2130/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 FFAR1 57/4885LTA4H 462/4885MAOA 2174/4885

“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.