SCHEMBL3205045

SCHEMBL3205045

CCCNCCC(=O)N(C)CCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.38
EPHX2 P34913 2/20 0.35
CNR1 P21554 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
KDM5A P29375 6/20 0.34
KDM4C Q9H3R0 6/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
DNM1 Q05193 2/20 0.33
BCHE P06276 1/20 0.31
CHRM2 P08172 1/20 0.31
ACHE P22303 1/20 0.31
CTSD P07339 1/20 0.31
KDM5C P41229 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
PHF8 Q9UPP1 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
SCHEMBL15784544 0.84 ALDH1A1 (0.39) PAOXEPHX2CNR1ALDH1A1KDM5A
SCHEMBL3264862 0.82 PAOX (0.37) PAOXALDH1A1HPGDKDM5AKDM4C
SCHEMBL4616554 0.81 ALDH1A1 (0.54) PAOXALDH1A1KDM5AKDM4CTHRA
SCHEMBL3261015 0.81 PAOX (0.36) PAOXALDH1A1HPGDKDM5AKDM4C
SCHEMBL12209818 0.78 ALDH1A1 (0.42) EPHX2CNR1ALDH1A1HPGDKDM5A
SCHEMBL13657716 0.78 PAOX (0.39) PAOXALDH1A1DNM1
SCHEMBL21381233 0.78 PRMT3 (0.41) PAOXALDH1A1KDM4CBCHECHRM2
SCHEMBL3260392 0.78 PHF8 (0.48) PAOXALDH1A1THRATHRBDNM1
SCHEMBL3266876 0.77 PAOX (0.36) PAOXALDH1A1HPGDTHRATHRB
SCHEMBL3267885 0.76 PAOX (0.35) PAOXALDH1A1HPGDTHRATHRB

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 397/4885EPHX2 4523/4885CNR1 4122/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 PAOX 2311/4885EPHX2 4416/4885CNR1 4839/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 PAOX 361/4885EPHX2 4631/4885CNR1 4287/4885

“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.