SCHEMBL3267948

SCHEMBL3267948

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
FAAH O00519 1/20 0.31
PAOX Q6QHF9 1/20 0.31

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
SCHEMBL3261133 0.91 FAAH (0.34) ALDH1A1FAAH
SCHEMBL3262833 0.91 ALDH1A1 (0.33) ALDH1A1FAAH
SCHEMBL3266876 0.84 PAOX (0.36) ALDH1A1PAOX
SCHEMBL3267885 0.82 PAOX (0.35) ALDH1A1PAOX
SCHEMBL3261672 0.81 FAAH (0.36) FAAH
SCHEMBL3262748 0.81 ALDH1A1 (0.34) ALDH1A1TDP1PAOX
SCHEMBL3261399 0.80 FAAH (0.35) FAAH
SCHEMBL3258023 0.80 ALDH1A1 (0.33) ALDH1A1FAAH
SCHEMBL3259105 0.80 ALDH1A1 (0.35) ALDH1A1FAAH
SCHEMBL569314 0.79 ALDH1A1 (0.55) ALDH1A1TDP1FAAHPAOX

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 1501/4885TDP1 497/4885FAAH 907/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ALDH1A1 3543/4885TDP1 805/4885FAAH 2877/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ALDH1A1 1151/4885TDP1 440/4885FAAH 915/4885

“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.