SCHEMBL4637801

SCHEMBL4637801

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

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PHF8 Q9UPP1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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 0.84 ALDH1A1 (0.37) PHF8KDM2ACYP1A2ALDH1A1
SCHEMBL3258041 0.82 LMNA (0.34) LMNACYP1A2
SCHEMBL3260130 0.77 ALDH1A1 (0.34) LMNACYP1A2ALDH1A1
SCHEMBL3259602 0.77 GABRR1 (0.34) LMNACYP1A2
SCHEMBL3187408 0.76
SCHEMBL13678663 0.75 LMNA (0.35) PHF8KDM2ALMNAALDH1A1
SCHEMBL3263226 0.75 PHF8 (0.61) PHF8KDM2ALMNACYP1A2ALDH1A1
SCHEMBL3258343 0.75 ALDH1A1 (0.33) LMNACYP1A2ALDH1A1
SCHEMBL4616663 0.75 ALDH1A1 (0.39) PHF8KDM2AALDH1A1
SCHEMBL3260147 0.75 ALDH1A1 (0.33) LMNACYP1A2ALDH1A1

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 3 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
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 (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-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 PHF8 2425/4885KDM2A 4081/4885LMNA 277/4885

“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.