SCHEMBL449062

SCHEMBL449062

O=Cc1ccc2cc(OCCCc3ccccc3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.53
MAOA P21397 9/20 0.51
MAOB P27338 9/20 0.51
S1PR1 P21453 3/20 0.51
S1PR3 Q99500 2/20 0.51
PTPN1 P18031 1/20 0.49
HPGD P15428 1/20 0.49
FFAR1 O14842 1/20 0.49
PPARG P37231 2/20 0.48
RAB9A P51151 1/20 0.48
PPARA Q07869 1/20 0.47

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
SCHEMBL450985 0.96 S1PR1 (0.52) PLA2G4AMAOAMAOBS1PR1S1PR3
SCHEMBL947314 0.86 FFAR1 (0.59) MAOAMAOBS1PR1S1PR3PTPN1
SCHEMBL13617801 0.85 MAOA (0.69) MAOAMAOBFFAR1RAB9A
SCHEMBL3904670 0.83 MAOA (0.71) MAOAMAOBRAB9A
SCHEMBL3083583 0.81 FFAR1 (0.60) S1PR1S1PR3PTPN1HPGDFFAR1
SCHEMBL9819692 0.81 MAOA (0.68) MAOAMAOBPTPN1FFAR1RAB9A
SCHEMBL9098252 0.80 FFAR1 (0.59) S1PR1S1PR3PTPN1HPGDFFAR1
SCHEMBL3843475 0.80 FFAR1 (0.59) S1PR1S1PR3PTPN1HPGDFFAR1
SCHEMBL7273053 0.80 ALDH1A1 (0.54) PLA2G4AHPGD
SCHEMBL2233399 0.80 HPGD (0.58) S1PR1S1PR3PTPN1HPGDFFAR1

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 PLA2G4A 296/4885MAOA 2130/4885MAOB 2098/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 PLA2G4A 322/4885MAOA 2174/4885MAOB 2137/4885

“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.