SCHEMBL2137203

SCHEMBL2137203

CCOC(=O)CCCOc1cccc(CC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
TSHR P16473 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
CYSLTR2 Q9NS75 2/20 0.56
CYSLTR1 Q9Y271 2/20 0.56
PPARA Q07869 2/20 0.55
PPARG P37231 1/20 0.55
MMP13 P45452 1/20 0.53
BRD4 O60885 1/20 0.53
POLB P06746 1/20 0.53
FAAH O00519 1/20 0.53
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
LTA4H P09960 2/20 0.51
PLA2G2A P14555 2/20 0.51
AR P10275 1/20 0.51
PDK2 Q15119 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL13140901 0.90 CYSLTR2 (0.55) MAPK1L3MBTL1TSHRTDP1CYSLTR2
SCHEMBL8279857 0.89 CYSLTR2 (0.54) MAPK1L3MBTL1TSHRTDP1CYSLTR2
Hydrochloric Acid SCHEMBL688914 0.88 CYSLTR2 (0.53) MAPK1L3MBTL1TSHRTDP1CYSLTR2
SCHEMBL3159659 0.87 PPARA (0.60) MAPK1L3MBTL1TSHRTDP1CYSLTR2
SCHEMBL13141072 0.87 CYSLTR2 (0.55) MAPK1L3MBTL1TSHRTDP1CYSLTR2
SCHEMBL3159484 0.85 PPARA (0.59) MAPK1L3MBTL1TSHRTDP1CYSLTR2
SCHEMBL4572152 0.85 PPARA (0.59) MAPK1L3MBTL1TSHRTDP1CYSLTR2
SCHEMBL10054169 0.85 L3MBTL1 (0.62) MAPK1L3MBTL1TDP1CYSLTR2CYSLTR1
SCHEMBL12698684 0.84 ALDH1A1 (0.67) MAPK1L3MBTL1TSHRTDP1CYSLTR2
SCHEMBL8955658 0.84 CYSLTR2 (0.63) MAPK1L3MBTL1TSHRTDP1CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445892-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-02 EP disclosed
US-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED 2012-04-26 US disclosed
US-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED 2012-04-26 US disclosed
US-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED 2012-04-26 US disclosed
WO-2010148650-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-29 WO disclosed
WO-2010148650-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-29 WO disclosed
US-20080027094-A1 Tropane Compounds and Pharmaceutical Compositions Comprising the Same as an Active Ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-31 US disclosed
US-20080027094-A1 Tropane Compounds and Pharmaceutical Compositions Comprising the Same as an Active Ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-31 US disclosed
EP-1785421-A1 TROPAN COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 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-20080027094-A1 Tropane Compounds and Pharmaceutical Compositions Comprising the Same as an Active Ingredient CHRM1, CHRM3, CHRM2 MAPK1 2081/4885L3MBTL1 2883/4885TSHR 78/4885
US-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 MAPK1 1599/4885L3MBTL1 4201/4885TSHR 223/4885

“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.