SCHEMBL17728906

SCHEMBL17728906

CC(C)(C)[C@H]1CC[C@@H](C=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LIPA P38571 1/20 0.38
EPHX1 P07099 1/20 0.36
GLA P06280 1/20 0.32
EPHX2 P34913 1/20 0.32
HSD11B1 P28845 1/20 0.32
MAPT P10636 1/20 0.30

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
SCHEMBL5212274 1.00 LIPA (0.38) LIPAEPHX1GLAEPHX2HSD11B1
SCHEMBL3188180 1.00 LIPA (0.38) LIPAEPHX1GLAEPHX2HSD11B1
SCHEMBL6854175 0.84 LIPA (0.31) LIPA
SCHEMBL6854599 0.84 LIPA (0.31) LIPA
SCHEMBL17084625 0.82 CES2 (0.33)
SCHEMBL17084624 0.82 CES2 (0.33)
SCHEMBL13555096 0.80 LIPA (0.32) LIPA
SCHEMBL3594834 0.80 ALDH1A1 (0.41)
SCHEMBL28143602 0.80
SCHEMBL6854630 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9572824-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-02-21 US disclosed
US-20160129023-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. 2016-05-12 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-20160129023-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 LIPA 2002/4885EPHX1 3224/4885GLA 1892/4885

“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.