SCHEMBL3261015

SCHEMBL3261015

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.36
KDM5A P29375 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
DNM1 Q05193 2/20 0.32
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 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
SCHEMBL3260027 0.89 KDM5A (0.33) KDM5AKDM4CALDH1A1HPGDDNM1
SCHEMBL3261688 0.87 PAOX (0.37) PAOXTHRATHRBALDH1A1PHF8
SCHEMBL3257660 0.83 KDM4C (0.34) KDM5AKDM4CALDH1A1HPGDDNM1
SCHEMBL3261431 0.83 FAAH (0.36)
SCHEMBL3260392 0.82 PHF8 (0.48) PAOXTHRATHRBALDH1A1DNM1
SCHEMBL3266876 0.81 PAOX (0.36) PAOXTHRATHRBALDH1A1HPGD
SCHEMBL3205045 0.81 PAOX (0.38) PAOXKDM5AKDM4CTHRATHRB
SCHEMBL3262748 0.80 ALDH1A1 (0.34) PAOXTHRATHRBALDH1A1
SCHEMBL3264862 0.79 PAOX (0.37) PAOXKDM5AKDM4CTHRATHRB
SCHEMBL3261046 0.79 KDM5A (0.31) KDM5AKDM4CALDH1A1HPGDDNM1

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 397/4885KDM5A 4278/4885KDM4C 4349/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 PAOX 2311/4885KDM5A 4697/4885KDM4C 4476/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 PAOX 361/4885KDM5A 4370/4885KDM4C 4459/4885

“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.