SCHEMBL3259601

SCHEMBL3259601

CCCN(C1CCCCC1)N(C)C(=O)CCN

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
ADH1C P00326 3/20 0.37
ALDH1A1 P00352 3/20 0.35
BACE1 P56817 1/20 0.34
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
PABPC1 P11940 1/20 0.31
HSD11B1 P28845 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL3260556 0.88 L3MBTL1 (0.41) ADH1AL3MBTL1ADH1CALDH1A1BACE1
SCHEMBL3264991 0.85 ADH1A (0.39) ADH1AL3MBTL1ADH1CALDH1A1BACE1
SCHEMBL3264064 0.81 ADH1A (0.36) ADH1AL3MBTL1ADH1CALDH1A1BACE1
SCHEMBL3263172 0.81 L3MBTL1 (0.39) ADH1AL3MBTL1ADH1CALDH1A1BACE1
SCHEMBL3263457 0.79 ADH1C (0.35) ADH1AL3MBTL1ADH1CALDH1A1BACE1
SCHEMBL3260126 0.79 ALDH1A1 (0.39) ADH1AL3MBTL1ADH1CALDH1A1BACE1
SCHEMBL3259083 0.75 ADH1A (0.37) ADH1AL3MBTL1ADH1CALDH1A1
SCHEMBL3364038 0.75 ALDH1A1 (0.53) L3MBTL1ALDH1A1BACE1PABPC1PKM
SCHEMBL3264062 0.75 L3MBTL1 (0.41) ADH1AL3MBTL1ADH1CALDH1A1SLC6A2
SCHEMBL3263165 0.74 ALDH1A1 (0.36) ADH1AL3MBTL1ADH1CALDH1A1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ADH1A 3336/4885L3MBTL1 874/4885ADH1C 4205/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ADH1A 3701/4885L3MBTL1 1100/4885ADH1C 4198/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ADH1A 2588/4885L3MBTL1 999/4885ADH1C 3863/4885

“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.