SCHEMBL3260130

SCHEMBL3260130

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL3260147 0.94 ALDH1A1 (0.33) ALDH1A1HPGDCYP1A2LMNATP53
SCHEMBL3261711 0.90 ALDH1A1 (0.35) ALDH1A1HPGDCYP1A2TP53CA12
SCHEMBL3259422 0.86 ALDH1A1 (0.33) ALDH1A1HPGDCYP1A2LMNATP53
SCHEMBL3258041 0.85 LMNA (0.34) CYP1A2LMNA
SCHEMBL3261691 0.85 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3261899 0.84 ALDH1A1 (0.34) ALDH1A1HPGDCYP1A2LMNATP53
SCHEMBL3258044 0.80 ALDH1A1 (0.35) ALDH1A1HPGD
SCHEMBL3261118 0.79 ALDH1A1 (0.37) ALDH1A1HPGDCYP1A2TP53CA12
SCHEMBL3258343 0.78 ALDH1A1 (0.33) ALDH1A1HPGDCYP1A2LMNATP53
SCHEMBL2458051 0.78 CES2 (0.45) ALDH1A1

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 1474/4885CYP1A2 3833/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ALDH1A1 3543/4885HPGD 2394/4885CYP1A2 3980/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ALDH1A1 1151/4885HPGD 1299/4885CYP1A2 3658/4885

“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.