SCHEMBL2439028

SCHEMBL2439028

CCCCCCCOc1ccc2c(ccc[n+]2[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
NR5A1 Q13285 1/20 0.43
LTA4H P09960 2/20 0.42
THRA P10827 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GPBAR1 Q8TDU6 2/20 0.40
PTPN11 Q06124 1/20 0.40
PLA2G4B P0C869 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL12957280 0.84 GPBAR1 (0.43) TSHRLTA4HKDM4EMAPK1TDP1
SCHEMBL23453280 0.84 KDM4E (0.59) KDM4EMAPK1TDP1HRH3PPARG
SCHEMBL6353536 0.81 NPC1 (0.53) KDM4EMAPK1TDP1HRH3PPARG
SCHEMBL23412203 0.79 KDM4E (0.57) KDM4EMAPK1TDP1HRH3
Hydrochloric Acid SCHEMBL11426803 0.77 ACHE (0.65) LTA4HKDM4EMAPK1PTPN11PLA2G4B
SCHEMBL5374714 0.77 KDM4E (0.61) TSHRNR5A1LTA4HKDM4EMAPK1
SCHEMBL10587825 0.77 KDM4E (0.61) TSHRNR5A1LTA4HKDM4EMAPK1
SCHEMBL758205 0.77 KDM4E (0.61) TSHRNR5A1LTA4HKDM4EMAPK1
SCHEMBL22753136 0.77 KDM4E (0.61) TSHRNR5A1LTA4HKDM4EMAPK1
SCHEMBL8746015 0.77 KDM4E (0.61) TSHRNR5A1LTA4HKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10081646-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2018-09-25 US disclosed
US-20180002356-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2018-01-04 US disclosed
US-9708353-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-07-18 US disclosed
EP-2364089-B1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC (US) 2016-12-07 EP disclosed
US-9181191-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2015-11-10 US disclosed
US-20150232492-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2015-08-20 US disclosed
US-20140100195-A1 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. 2014-04-10 US disclosed
US-8349849-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2013-01-08 US disclosed
EP-2364089-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 EP disclosed
US-20100160357-A1 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. 2010-06-24 US disclosed
WO-2010051031-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2010-05-06 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 (5 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-20180002356-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR4 TSHR 609/4885NR5A1 1527/4885LTA4H 2091/4885
US-20150232492-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR4 TSHR 609/4885NR5A1 1527/4885LTA4H 2091/4885
US-20140100195-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 TSHR 609/4885NR5A1 1527/4885LTA4H 2091/4885
US-20100160357-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 TSHR 609/4885NR5A1 1527/4885LTA4H 2091/4885
US-10081646-B2 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 TSHR 609/4885NR5A1 1527/4885LTA4H 2091/4885

“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.