SCHEMBL450985

SCHEMBL450985

O=Cc1ccc2cc(OCCCCc3ccccc3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.52
PLA2G4A P47712 1/20 0.52
S1PR3 Q99500 5/20 0.51
HPGD P15428 2/20 0.50
FFAR1 O14842 1/20 0.50
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
RAB9A P51151 1/20 0.47
PPARG P37231 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
S1PR5 Q9H228 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46

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
SCHEMBL449062 0.96 PLA2G4A (0.53) S1PR1PLA2G4AS1PR3HPGDFFAR1
SCHEMBL3083583 0.86 FFAR1 (0.60) S1PR1S1PR3HPGDFFAR1S1PR5
SCHEMBL9819692 0.85 MAOA (0.68) FFAR1MAOAMAOBRAB9AMTNR1A
SCHEMBL9098252 0.85 FFAR1 (0.59) S1PR1S1PR3HPGDFFAR1S1PR5
SCHEMBL3843475 0.85 FFAR1 (0.59) S1PR1S1PR3HPGDFFAR1S1PR5
SCHEMBL7283922 0.84 MAOA (0.66) S1PR1S1PR3FFAR1MAOAMAOB
SCHEMBL3904670 0.82 MAOA (0.71) MAOAMAOBRAB9AMTNR1A
SCHEMBL947314 0.82 FFAR1 (0.59) S1PR1S1PR3HPGDFFAR1MAOA
SCHEMBL13617801 0.81 MAOA (0.69) FFAR1MAOAMAOBRAB9A
SCHEMBL21427194 0.79 FDPS (0.54) S1PR1HPGDMAOAMAOBRAB9A

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 S1PR1 1/4885PLA2G4A 296/4885S1PR3 2/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 S1PR1 1/4885PLA2G4A 322/4885S1PR3 3/4885

“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.