SCHEMBL3263458

SCHEMBL3263458

CCCNCCC(=O)N(C)N(C(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.35
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
ANPEP P15144 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
SCHEMBL3262227 0.87 PHF8 (0.31) PHF8KDM2A
SCHEMBL3259833 0.82 PAOX (0.35) PAOXTHRATHRBANPEP
SCHEMBL3260392 0.81 PHF8 (0.48) PAOXTHRATHRBALDH1A1PHF8
SCHEMBL3263314 0.79 PHF8 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4PHF8
SCHEMBL3263713 0.79 PAOX (0.33) PAOXTHRATHRBALDH1A1
SCHEMBL3261146 0.79 PAOX (0.35) PAOXTHRATHRBCHRNB2CHRNB4
SCHEMBL3262897 0.78 TSHR (0.31)
SCHEMBL3261688 0.78 PAOX (0.37) PAOXTHRATHRBALDH1A1PHF8
SCHEMBL3261420 0.78 PHF8 (0.32) PHF8KDM2A
SCHEMBL4616554 0.77 ALDH1A1 (0.54) PAOXTHRATHRBCHRNB2CHRNB4

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.