SCHEMBL4616554

SCHEMBL4616554

CCCNCCC(=O)N(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
PAOX Q6QHF9 3/20 0.42
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA4 P43681 1/20 0.36
CTSD P07339 1/20 0.34
DNM1 Q05193 2/20 0.32
ADH1B P00325 1/20 0.32
ADH1A P07327 1/20 0.32
ADH7 P40394 1/20 0.32
HTT P42858 1/20 0.32
ANPEP P15144 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 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
SCHEMBL3260392 0.83 PHF8 (0.48) ALDH1A1PAOXTHRATHRBCTSD
SCHEMBL19705578 0.82 ALDH1A1 (0.43) ALDH1A1PAOXCHRNB2CHRNB4CHRNA4
SCHEMBL3205045 0.81 PAOX (0.38) ALDH1A1PAOXTHRATHRBCTSD
SCHEMBL3261688 0.79 PAOX (0.37) ALDH1A1PAOXTHRATHRBCTSD
SCHEMBL3264862 0.79 PAOX (0.37) ALDH1A1PAOXTHRATHRBCTSD
SCHEMBL754536 0.79 PAOX (0.37) ALDH1A1PAOXTHRATHRBCHRNB2
SCHEMBL24104595 0.79 ALDH1A1 (0.44) ALDH1A1PAOXADH1BADH1AADH7
SCHEMBL3261015 0.78 PAOX (0.36) ALDH1A1PAOXTHRATHRBDNM1
SCHEMBL15784544 0.77 ALDH1A1 (0.39) ALDH1A1PAOXTHRATHRBCTSD
SCHEMBL7718766 0.77 PAOX (0.59) ALDH1A1PAOXDNM1HTTKDM5A

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 3 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
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 (1 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-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ALDH1A1 3543/4885PAOX 2311/4885THRA 2010/4885

“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.