SCHEMBL11029299

SCHEMBL11029299

CC(=O)c1ccc2cc(OC3CCC(C(C)(C)C)CC3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.46
HPGDS O60760 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
KCNH2 Q12809 2/20 0.42
ENPP2 Q13822 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
PARP10 Q53GL7 1/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
KLKB1 P03952 1/20 0.39
PRSS1 P07477 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2A6 P11509 1/20 0.39

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
SCHEMBL11942496 1.00 HRH3 (0.46) HRH3HPGDSMEN1KMT2AMAPT
SCHEMBL18532945 1.00 HRH3 (0.46) HRH3HPGDSMEN1KMT2AMAPT
SCHEMBL18532923 0.89 KDM4E (0.51) HRH3HPGDSMAPTKCNH2ENPP2
SCHEMBL17739185 0.89 KDM4E (0.51) HRH3HPGDSMAPTKCNH2ENPP2
SCHEMBL15550551 0.88 APP (0.46) HRH3HPGDSKCNH2ENPP2SMN1; SMN2
SCHEMBL17045100 0.88 APP (0.46) HRH3HPGDSKCNH2ENPP2SMN1; SMN2
SCHEMBL1161523 0.87 HPGDS (0.48) HRH3HPGDSMAPTKCNH2
SCHEMBL1161522 0.87 HPGDS (0.48) HRH3HPGDSMAPTKCNH2
SCHEMBL11028975 0.86 HRH3 (0.43) HRH3HPGDSMAPTKCNH2ENPP2
SCHEMBL19646480 0.86 HPGDS (0.50) HRH3HPGDSSMN1; SMN2F2PLG

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894040-B2 S1P modulating agents BIOGEN MA INC. (US) 2021-01-19 US disclosed
EP-3660010-A1 S1P MODULATING AGENTS Biogen MA Inc. (US) 2020-06-03 EP disclosed
US-20200038385-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. 2020-02-06 US disclosed
EP-3150590-B1 S1P MODULATING AGENTS BIOGEN MA INC (US) 2019-10-16 EP disclosed
US-10406144-B2 SIP modulating agents BIOGEN MA INC. (US) 2019-09-10 US disclosed
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2019-07-11 US disclosed
US-10166250-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2019-01-01 US disclosed
US-20180369215-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. 2018-12-27 US disclosed
US-10034869-B2 S1P modulating agents BIOGEN MA INC. (US) 2018-07-31 US disclosed
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2018-05-17 US disclosed
US-20160263093-A1 S1P modulating agents BIOGEN MA INC. 2016-09-15 US disclosed
EP-2672823-B1 S1P MODULATING AGENTS BIOGEN MA INC (US) 2016-08-24 EP disclosed
US-9340527-B2 S1P modulating agents BIOGEN MA INC. (US) 2016-05-17 US disclosed
US-20160129023-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. 2016-05-12 US disclosed
US-9186367-B2 Bicyclic aryl sphingosine 1-phosphate analogs BOIGEN MA INC. (US) 2015-11-17 US disclosed
EP-2461683-B1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC INC (US) 2015-04-29 EP disclosed
US-20140371209-A1 S1P Modulating Agents BIOGEN MA INC. 2014-12-18 US disclosed
US-20140309190-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2014-10-16 US disclosed
US-8802659-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2014-08-12 US disclosed
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2012-07-26 US 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 (13 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-20200038385-A1 S1P MODULATING AGENTS S1PR2, S1PR1, S1PR3 HRH3 682/4885HPGDS 110/4885MEN1 1979/4885
US-20160129023-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 HRH3 601/4885HPGDS 1572/4885MEN1 1019/4885
US-20140371209-A1 S1P Modulating Agents S1PR2, S1PR1, S1PR3 HRH3 711/4885HPGDS 146/4885MEN1 1278/4885
US-20140309190-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 HRH3 601/4885HPGDS 1572/4885MEN1 1019/4885
US-10034869-B2 S1P modulating agents S1PR2, S1PR1, S1PR3 HRH3 308/4885HPGDS 488/4885MEN1 1224/4885
US-10406144-B2 SIP modulating agents S1PR2, S1PR1, S1PR3 HRH3 803/4885HPGDS 95/4885MEN1 853/4885
US-10894040-B2 S1P modulating agents S1PR2, S1PR1, S1PR3 HRH3 309/4885HPGDS 452/4885MEN1 1294/4885
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 HRH3 601/4885HPGDS 1572/4885MEN1 1019/4885
US-20180369215-A1 S1P MODULATING AGENTS S1PR2, S1PR1, S1PR3 HRH3 682/4885HPGDS 110/4885MEN1 1979/4885
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 HRH3 613/4885HPGDS 1263/4885MEN1 2507/4885
US-10166250-B2 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 HRH3 601/4885HPGDS 1572/4885MEN1 1019/4885
US-20160263093-A1 S1P modulating agents S1PR2, S1PR1, S1PR3 HRH3 682/4885HPGDS 110/4885MEN1 1979/4885
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 HRH3 613/4885HPGDS 1263/4885MEN1 2507/4885

“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.