SCHEMBL21154666

SCHEMBL21154666

CCOC(=O)C1CN(Cc2ccc3cc(OC4CCC(C(C)(C)C)CC4)ccc3c2)C1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.51
▸ KDM4E B2RXH2 8/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ S1PR5 Q9H228 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CCR8 P51685 1/20 0.42

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
SCHEMBL19272315 0.92 KDM4E (0.47) ENPP2KDM4EALDH1A1S1PR5SMN1; SMN2
SCHEMBL18532853 0.92 ALDH1A1 (0.62) KDM4EALDH1A1SMN1; SMN2L3MBTL1ATM
SCHEMBL11025167 0.92 ALDH1A1 (0.62) KDM4EALDH1A1SMN1; SMN2L3MBTL1ATM
SCHEMBL1162183 0.92 ALDH1A1 (0.62) KDM4EALDH1A1SMN1; SMN2L3MBTL1ATM
SCHEMBL11942426 0.92 ALDH1A1 (0.62) KDM4EALDH1A1SMN1; SMN2L3MBTL1ATM
SCHEMBL11942427 0.92 ALDH1A1 (0.62) KDM4EALDH1A1SMN1; SMN2L3MBTL1ATM
SCHEMBL18532922 0.92 ALDH1A1 (0.62) KDM4EALDH1A1SMN1; SMN2L3MBTL1ATM
SCHEMBL1162184 0.92 ALDH1A1 (0.62) KDM4EALDH1A1SMN1; SMN2L3MBTL1ATM
SCHEMBL1161788 0.91 KDM4E (0.57) KDM4EALDH1A1S1PR5SMN1; SMN2MAPT
SCHEMBL12472059 0.91 KDM4E (0.57) KDM4EALDH1A1S1PR5SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2019-07-11 — — 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 (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-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 ENPP2 32/4885KDM4E 3227/4885ALDH1A1 3931/4885

“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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