SCHEMBL2805053

SCHEMBL2805053

CCCCCCCCc1ccc2c(c1)CCC(C(C)(C(=O)OCC)C(=O)OCC)C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 0.47
▸ PPARG P37231 4/20 0.47
▸ S1PR1 P21453 6/20 0.43
▸ S1PR3 Q99500 6/20 0.43
▸ S1PR4 O95977 3/20 0.43
▸ S1PR5 Q9H228 3/20 0.43
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ PRKD3 O94806 1/20 0.38
▸ PRKCG P05129 1/20 0.38
▸ PRKCB P05771 1/20 0.38
▸ PRKCA P17252 1/20 0.38
▸ PRKCH P24723 1/20 0.38
▸ PRKCI P41743 1/20 0.38
▸ PRKCE Q02156 1/20 0.38
▸ PRKCQ Q04759 1/20 0.38
▸ PRKCZ Q05513 1/20 0.38
▸ PRKCD Q05655 1/20 0.38
▸ PRKD1 Q15139 1/20 0.38
▸ DRD2 P14416 1/20 0.37

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
SCHEMBL2285235 0.86 PPARA (0.40) PPARAPPARGS1PR1S1PR3S1PR4
SCHEMBL2805057 0.82 S1PR1 (0.41) PPARAPPARGS1PR1S1PR3S1PR4
SCHEMBL2807971 0.80 S1PR1 (0.61) PPARAPPARGS1PR1S1PR3S1PR4
SCHEMBL2472482 0.79 CYP24A1 (0.50) PPARGDRD2
SCHEMBL2011162 0.79 PPARA (0.42) PPARAPPARGS1PR1S1PR3S1PR4
SCHEMBL2804904 0.78 S1PR1 (0.58) PPARAPPARGS1PR1S1PR3S1PR4
SCHEMBL14206102 0.77 S1PR1 (0.42) PPARAPPARGS1PR1S1PR3S1PR4
SCHEMBL2281531 0.75 THRA (0.44) PPARAS1PR1S1PR3S1PR4S1PR5
SCHEMBL1471074 0.75 S1PR1 (0.36) PPARAPPARGS1PR1S1PR3S1PR4
SCHEMBL17211830 0.74 PARP10 (0.39) THRATHRBCYP2C9CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240617-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2010-09-23 — — US disclosed
EP-2190852-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS University Of Virginia Patent Foundation (US) 2010-06-02 — — EP disclosed
WO-2009023854-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-02-19 — — WO 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 (1 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-20100240617-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR4, S1PR3 PPARA 1155/4885PPARG 1650/4885S1PR1 1/4885

“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.

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