SCHEMBL3266876

SCHEMBL3266876

CCCNCCC(=O)N(CCC)N(CCC)CCC

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.36
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL3267885 0.91 PAOX (0.35) PAOXTHRATHRBALDH1A1HPGD
SCHEMBL3260816 0.89 ALDH1A1 (0.32) ALDH1A1HPGD
SCHEMBL3264862 0.87 PAOX (0.37) PAOXTHRATHRBALDH1A1HPGD
SCHEMBL3267948 0.84 ALDH1A1 (0.33) PAOXALDH1A1
SCHEMBL3261672 0.83 FAAH (0.36)
SCHEMBL3261015 0.81 PAOX (0.36) PAOXTHRATHRBALDH1A1HPGD
SCHEMBL3263713 0.81 PAOX (0.33) PAOXTHRATHRBALDH1A1HPGD
SCHEMBL3263459 0.80 ALDH1A1 (0.32) PAOXALDH1A1HPGD
SCHEMBL3261027 0.80 ALDH1A1 (0.32) PAOXALDH1A1HPGD
SCHEMBL3261396 0.77 PAOX (0.33) PAOXTHRATHRBALDH1A1HPGD

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 PAOX 397/4885THRA 3585/4885THRB 3520/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 PAOX 2311/4885THRA 2010/4885THRB 2937/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 PAOX 361/4885THRA 3317/4885THRB 3373/4885

“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.