SCHEMBL3258343

SCHEMBL3258343

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
KDM5A P29375 2/20 0.31
KDM4C Q9H3R0 2/20 0.31
ACHE P22303 1/20 0.31
CYP1A2 P05177 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 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
SCHEMBL3261118 0.86 ALDH1A1 (0.37) ALDH1A1HPGDKDM5AKDM4CACHE
SCHEMBL3261899 0.82 ALDH1A1 (0.34) ALDH1A1HPGDCYP1A2LMNATP53
SCHEMBL3261434 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL3259422 0.81 ALDH1A1 (0.33) ALDH1A1HPGDCYP1A2LMNATP53
SCHEMBL3261711 0.80 ALDH1A1 (0.35) ALDH1A1HPGDCYP1A2TP53
SCHEMBL3260130 0.78 ALDH1A1 (0.34) ALDH1A1HPGDCYP1A2LMNATP53
SCHEMBL3260147 0.77 ALDH1A1 (0.33) ALDH1A1HPGDCYP1A2LMNATP53
SCHEMBL3260274 0.77 ALDH1A1 (0.31) ALDH1A1HPGDTP53
SCHEMBL3258528 0.76 PHF8 (0.39) ALDH1A1HPGDKDM5AKDM4CACHE
SCHEMBL3260547 0.76 ALDH1A1 (0.32) ALDH1A1HPGD

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 ALDH1A1 1501/4885HPGD 1474/4885KDM5A 4278/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ALDH1A1 3543/4885HPGD 2394/4885KDM5A 4697/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ALDH1A1 1151/4885HPGD 1299/4885KDM5A 4370/4885

“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.