SCHEMBL3207402

SCHEMBL3207402

CCCN(CC)CCC(=O)O.NC(=O)N1CCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
KDM5A P29375 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
ALDH1A1 P00352 3/20 0.32
F2 P00734 1/20 0.32
MAPT P10636 1/20 0.32
ITGB3 P05106 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
SCHEMBL3197423 1.00 HRH3 (0.39) HRH3KDM5AKDM4CL3MBTL1MEN1
SCHEMBL3204014 0.98 KDM5A (0.39) HRH3KDM5AKDM4CL3MBTL1MEN1
SCHEMBL3213464 0.94 L3MBTL1 (0.40) HRH3KDM5AKDM4CL3MBTL1MEN1
SCHEMBL3196933 0.94 L3MBTL1 (0.40) HRH3KDM5AKDM4CL3MBTL1MEN1
SCHEMBL3203439 0.92 L3MBTL1 (0.38) HRH3KDM5AKDM4CL3MBTL1MEN1
SCHEMBL3187043 0.92 L3MBTL1 (0.38) HRH3KDM5AKDM4CL3MBTL1MEN1
SCHEMBL3206435 0.92 L3MBTL1 (0.39) HRH3KDM5AKDM4CL3MBTL1MEN1
SCHEMBL3199509 0.91 HRH3 (0.36) HRH3KDM5AKDM4CL3MBTL1MEN1
SCHEMBL3207388 0.86 HRH3 (0.36) HRH3L3MBTL1MEN1KMT2ATDP1
SCHEMBL3196836 0.86 HRH3 (0.36) HRH3L3MBTL1MEN1KMT2ATDP1

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 HRH3 2386/4885KDM5A 4278/4885KDM4C 4349/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 HRH3 3127/4885KDM5A 4697/4885KDM4C 4476/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 HRH3 2573/4885KDM5A 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.