SCHEMBL3204020

SCHEMBL3204020

CN(C)CCC(=O)O.NC(=O)N1CCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4A O75164 11/20 0.37
KDM4C Q9H3R0 11/20 0.37
KDM5A P29375 1/20 0.37
KDM7A Q6ZMT4 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
F2R P25116 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3197672 1.00 CYP1A2 (0.38) CYP1A2MAPK1SMN1; SMN2KDM4AKDM4C
SCHEMBL3197130 0.98 KDM4A (0.38) CYP1A2MAPK1SMN1; SMN2KDM4AKDM4C
SCHEMBL3203923 0.85 KDM5A (0.42) CYP1A2MAPK1SMN1; SMN2KDM4CKDM5A
SCHEMBL3195870 0.85 KDM5A (0.42) CYP1A2MAPK1SMN1; SMN2KDM4CKDM5A
SCHEMBL3206918 0.84 KDM4C (0.43) CYP1A2MAPK1SMN1; SMN2KDM4AKDM4C
SCHEMBL3197750 0.84 KDM4C (0.43) CYP1A2MAPK1SMN1; SMN2KDM4AKDM4C
SCHEMBL3207265 0.84 CYP1A2 (0.34) CYP1A2MAPK1SMN1; SMN2ITGB3ITGA2B
SCHEMBL3197235 0.84 CYP1A2 (0.34) CYP1A2MAPK1SMN1; SMN2ITGB3ITGA2B
SCHEMBL3187043 0.83 L3MBTL1 (0.38) CYP1A2MAPK1SMN1; SMN2KDM4CKDM5A
SCHEMBL3203439 0.83 L3MBTL1 (0.38) CYP1A2MAPK1SMN1; SMN2KDM4CKDM5A

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 5 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

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 CYP1A2 3833/4885MAPK1 2330/4885SMN1; SMN2 24/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 CYP1A2 3980/4885MAPK1 2393/4885SMN1; SMN2 3451/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 CYP1A2 3658/4885MAPK1 2010/4885SMN1; SMN2 29/4885

“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.