SCHEMBL3197750

SCHEMBL3197750

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 9/20 0.43
KDM5A P29375 7/20 0.43
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM5C P41229 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
PHF8 Q9UPP1 2/20 0.36
KDM4A O75164 2/20 0.36
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
F2R P25116 1/20 0.34
F2 P00734 1/20 0.32

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
SCHEMBL3206918 1.00 KDM4C (0.43) KDM4CKDM5AL3MBTL1MEN1KMT2A
SCHEMBL3208754 0.98 KDM4C (0.44) KDM4CKDM5AL3MBTL1MEN1KMT2A
SCHEMBL3203923 0.89 KDM5A (0.42) KDM4CKDM5AL3MBTL1MEN1KMT2A
SCHEMBL3195870 0.89 KDM5A (0.42) KDM4CKDM5AL3MBTL1MEN1KMT2A
SCHEMBL3211249 0.88 KDM4C (0.43) KDM4CKDM5AL3MBTL1MEN1KMT2A
SCHEMBL3213464 0.86 L3MBTL1 (0.40) KDM4CKDM5AL3MBTL1MEN1KMT2A
SCHEMBL3196933 0.86 L3MBTL1 (0.40) KDM4CKDM5AL3MBTL1MEN1KMT2A
SCHEMBL3206435 0.84 L3MBTL1 (0.39) KDM4CKDM5AL3MBTL1MEN1KMT2A
SCHEMBL3197672 0.84 CYP1A2 (0.38) KDM4CKDM5AL3MBTL1MEN1KMT2A
SCHEMBL3204020 0.84 CYP1A2 (0.38) KDM4CKDM5AL3MBTL1MEN1KMT2A

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 KDM4C 4349/4885KDM5A 4278/4885L3MBTL1 874/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 KDM4C 4476/4885KDM5A 4697/4885L3MBTL1 1100/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 KDM4C 4459/4885KDM5A 4370/4885L3MBTL1 999/4885

“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.