SCHEMBL1161523

SCHEMBL1161523

COC(=O)c1ccc2cc(O[C@H]3CC[C@H](C(C)(C)C)CC3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.48
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HRH3 Q9Y5N1 7/20 0.45
EPHX2 P34913 5/20 0.45
FAAH O00519 1/20 0.44
MAPT P10636 1/20 0.44
PTPN11 Q06124 1/20 0.43
HGFAC Q04756 1/20 0.43
LCK P06239 1/20 0.41
KCNH2 Q12809 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
SCHEMBL1161522 1.00 HPGDS (0.48) HPGDSALDH1A1KDM4EHRH3EPHX2
SCHEMBL15551565 0.89 EPHX2 (0.48) HPGDSALDH1A1KDM4EHRH3EPHX2
SCHEMBL15551563 0.89 EPHX2 (0.48) HPGDSALDH1A1KDM4EHRH3EPHX2
SCHEMBL11029299 0.87 HRH3 (0.46) HPGDSHRH3MAPTKCNH2
SCHEMBL17739185 0.87 KDM4E (0.51) HPGDSALDH1A1KDM4EHRH3EPHX2
SCHEMBL18532945 0.87 HRH3 (0.46) HPGDSHRH3MAPTKCNH2
SCHEMBL18532923 0.87 KDM4E (0.51) HPGDSALDH1A1KDM4EHRH3EPHX2
SCHEMBL11942496 0.87 HRH3 (0.46) HPGDSHRH3MAPTKCNH2
SCHEMBL19646480 0.86 HPGDS (0.50) HPGDSHRH3EPHX2FAAH
SCHEMBL15550938 0.85 HRH3 (0.53) ALDH1A1KDM4EHRH3EPHX2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-10166250-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2019-01-01 US disclosed
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2018-05-17 US disclosed
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2018-05-17 US disclosed
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2018-05-17 US disclosed
US-9827258-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-11-28 US disclosed
US-9827258-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-11-28 US disclosed
US-20140309190-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2014-10-16 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-8802659-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2014-08-12 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
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2012-07-26 US disclosed
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2012-07-26 US disclosed
EP-2461683-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2012-06-13 EP disclosed
WO-2011017561-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2011-02-10 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 (6 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-20140309190-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 HPGDS 1572/4885ALDH1A1 4545/4885KDM4E 3357/4885
US-10406144-B2 SIP modulating agents S1PR2, S1PR1, S1PR3 HPGDS 95/4885ALDH1A1 2802/4885KDM4E 3487/4885
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 HPGDS 1572/4885ALDH1A1 4545/4885KDM4E 3357/4885
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 HPGDS 1263/4885ALDH1A1 3931/4885KDM4E 3227/4885
US-10166250-B2 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 HPGDS 1572/4885ALDH1A1 4545/4885KDM4E 3357/4885
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 HPGDS 1263/4885ALDH1A1 3931/4885KDM4E 3227/4885

“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.