SCHEMBL3261528

SCHEMBL3261528

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 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
SCHEMBL3261322 0.83 L3MBTL1 (0.39) ADH1BADH1CADH1AMEN1ALDH1A1
SCHEMBL3263457 0.82 ADH1C (0.35) ADH1CADH1AALDH1A1L3MBTL1MAPK1
SCHEMBL3264064 0.81 ADH1A (0.36) ADH1BADH1CADH1AMEN1ALDH1A1
SCHEMBL3261786 0.81 ALDH1A1 (0.32) MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL3264201 0.80 L3MBTL1 (0.36) ADH1CADH1AMEN1ALDH1A1KMT2A
SCHEMBL3259083 0.78 ADH1A (0.37) ADH1CADH1AALDH1A1L3MBTL1
SCHEMBL3264506 0.77 ADH1B (0.35) ADH1BADH1CADH1AMEN1ALDH1A1
SCHEMBL3260318 0.75 ALDH1A1 (0.36) MEN1ALDH1A1KMT2A
SCHEMBL3261247 0.74 ALDH1A1 (0.35) MEN1ALDH1A1KMT2A
SCHEMBL3257693 0.74 ALDH1A1 (0.35) MEN1ALDH1A1KMT2A

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 ADH1B 1717/4885ADH1C 4205/4885ADH1A 3336/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ADH1B 3769/4885ADH1C 4198/4885ADH1A 3701/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ADH1B 1477/4885ADH1C 3863/4885ADH1A 2588/4885

“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.