SCHEMBL3198781

SCHEMBL3198781

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP3 P08254 2/20 0.34
MMP8 P22894 2/20 0.34
MMP13 P45452 1/20 0.33
LMNA P02545 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MAPK1 P28482 2/20 0.32
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
HPGD P15428 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL3199065 1.00 L3MBTL1 (0.36) L3MBTL1MEN1KMT2ATDP1MMP1
SCHEMBL3200634 0.99 L3MBTL1 (0.35) L3MBTL1MEN1KMT2ATDP1MMP1
SCHEMBL3210449 0.90 L3MBTL1 (0.34) L3MBTL1MEN1KMT2ATDP1MMP1
SCHEMBL3187358 0.90 L3MBTL1 (0.34) L3MBTL1MEN1KMT2ATDP1MMP1
SCHEMBL3188482 0.89 L3MBTL1 (0.33) L3MBTL1MEN1KMT2ATDP1MMP1
SCHEMBL3188624 0.83
SCHEMBL3200539 0.83
SCHEMBL3199257 0.82 CYP1A2 (0.35) L3MBTL1MEN1KMT2ATDP1MMP1
SCHEMBL3196933 0.82 L3MBTL1 (0.40) L3MBTL1MEN1KMT2ATDP1LMNA
SCHEMBL3213464 0.82 L3MBTL1 (0.40) L3MBTL1MEN1KMT2ATDP1LMNA

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 874/4885MEN1 3690/4885KMT2A 4332/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 L3MBTL1 1100/4885MEN1 1767/4885KMT2A 4216/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 L3MBTL1 999/4885MEN1 3470/4885KMT2A 4416/4885

“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.