SCHEMBL3196933

SCHEMBL3196933

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM5A P29375 3/20 0.36
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
PHF8 Q9UPP1 2/20 0.34
KDM4C Q9H3R0 1/20 0.34
F2 P00734 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
FFAR3 O14843 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 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
SCHEMBL3213464 1.00 L3MBTL1 (0.40) L3MBTL1HRH3MEN1KMT2ATDP1
SCHEMBL3206435 0.98 L3MBTL1 (0.39) L3MBTL1HRH3MEN1KMT2ATDP1
SCHEMBL3197423 0.94 HRH3 (0.39) L3MBTL1HRH3MEN1KMT2ATDP1
SCHEMBL3207402 0.94 HRH3 (0.39) L3MBTL1HRH3MEN1KMT2ATDP1
SCHEMBL3204014 0.92 KDM5A (0.39) L3MBTL1HRH3MEN1KMT2ATDP1
SCHEMBL3187043 0.89 L3MBTL1 (0.38) L3MBTL1HRH3MEN1KMT2ATDP1
SCHEMBL3203439 0.89 L3MBTL1 (0.38) L3MBTL1HRH3MEN1KMT2ATDP1
SCHEMBL3207388 0.89 HRH3 (0.36) L3MBTL1HRH3MEN1KMT2ATDP1
SCHEMBL3196836 0.89 HRH3 (0.36) L3MBTL1HRH3MEN1KMT2ATDP1
SCHEMBL3210574 0.87 HRH3 (0.34) L3MBTL1HRH3MEN1KMT2ATDP1

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 L3MBTL1 874/4885HRH3 2386/4885MEN1 3690/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 L3MBTL1 1100/4885HRH3 3127/4885MEN1 1767/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 L3MBTL1 999/4885HRH3 2573/4885MEN1 3470/4885

“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.