SCHEMBL3261772

SCHEMBL3261772

CCCN(NCC)C(=O)CCN

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 5/20 0.33
KDM4C Q9H3R0 4/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.31
CTSD P07339 1/20 0.30
KDM5C P41229 1/20 0.30
KDM5B Q9UGL1 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
SCHEMBL3261054 0.87 CTSD (0.33) ALDH1A1HPGDCTSD
SCHEMBL4636977 0.84 CYP1A2 (0.32) CYP1A2
SCHEMBL3260221 0.82 FAAH (0.37) ALDH1A1HPGD
SCHEMBL3260558 0.78 ALDH1A1 (0.32) ALDH1A1HPGD
SCHEMBL4618237 0.77 ALDH1A1 (0.36) ALDH1A1
SCHEMBL3261398 0.74 CYP1A2 (0.33) ALDH1A1CYP1A2
SCHEMBL3260401 0.73 CTSD (0.34) CYP1A2CTSD
SCHEMBL3210666 0.73 ALDH1A1 (0.59) ALDH1A1HPGDCYP1A2TP53
SCHEMBL3259369 0.72 EPHX1 (0.37) ALDH1A1
SCHEMBL3188866 0.71 ACHE (0.40) KDM5AKDM4CALDH1A1HPGDCYP1A2

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 KDM5A 4278/4885KDM4C 4349/4885ALDH1A1 1501/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 KDM5A 4697/4885KDM4C 4476/4885ALDH1A1 3543/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 KDM5A 4370/4885KDM4C 4459/4885ALDH1A1 1151/4885

“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.