SCHEMBL715535

SCHEMBL715535

CC(=O)ON1CCOC(C)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 3/20 0.40
GLRA1 P23415 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.31
CHRM2 P08172 3/20 0.30
MEN1 O00255 1/20 0.30
CYP2D6 P10635 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 1/20 0.30
CHRM1 P11229 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
SCHEMBL25387756 0.85 PDK1 (0.40) PDK1GLRA1
SCHEMBL28143878 0.81 PDK1 (0.40) PDK1GLRA1
SCHEMBL28143876 0.80 PDK1 (0.39) PDK1GLRA1
SCHEMBL3925360 0.80 PDK1 (0.36) PDK1GLRA1L3MBTL1
Ammonia Solution, Strong SCHEMBL28143866 0.80 PDK1 (0.39) PDK1GLRA1
SCHEMBL9764676 0.77 PDK1 (0.41) PDK1TSHR
SCHEMBL71589 0.76 PKM (0.39) PDK1L3MBTL1MEN1KMT2ATSHR
SCHEMBL249323 0.71 SMN1; SMN2 (0.48) L3MBTL1MEN1KMT2ATSHR
SCHEMBL15788160 0.71 PDK1 (0.56) PDK1GLRA1TSHR
SCHEMBL17776430 0.71 PDK1 (0.56) PDK1GLRA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586638-B2 Parakeratosis inhibitor and skin preparation for external use SHISEIDO COMPANY, LTD (JP) 2013-11-19 US disclosed
US-20120253064-A1 PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE SHISEIDO COMPANY, LTD. (JP) 2012-10-04 US disclosed
EP-2491981-A2 Parakeratosis inhibitor and external composition for skin SHISEIDO COMPANY LIMITED (JP) 2012-08-29 EP disclosed
EP-2491980-A2 Parakeratosis inhibitor and skin preparation for external use SHISEIDO COMPANY LIMITED (JP) 2012-08-29 EP disclosed
US-20120053243-A1 PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE SHISEIDO COMPANY, LTD. (JP) 2012-03-01 US disclosed
US-20070225380-A1 Parakeratosis Inhibitor and Skin Preparation for External use SHISEIDO COMPANY LTD. (JP) 2007-09-27 US disclosed
EP-1688126-A1 PARAKERATOSIS INHIBITOR AND EXTERNAL COMPOSITION FOR SKIN SHISEIDO COMPANY LIMITED (JP) 2006-08-09 EP 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 (3 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-20120053243-A1 PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE CUTA, HPN, DNPEP PDK1 227/4885GLRA1 165/4885L3MBTL1 2549/4885
US-20120253064-A1 PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE CUTA, HPN, PRSS1 PDK1 798/4885GLRA1 159/4885L3MBTL1 3372/4885
US-20070225380-A1 Parakeratosis Inhibitor and Skin Preparation for External use CUTA, HPN, DNPEP PDK1 227/4885GLRA1 165/4885L3MBTL1 2549/4885

“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.