SCHEMBL3208685

SCHEMBL3208685

CCCN(C(=O)CCN)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.33
NAMPT P43490 1/20 0.33
F2 P00734 1/20 0.32
PLG P00747 1/20 0.32
PLAT P00750 1/20 0.32
PRSS1 P07477 1/20 0.32
CYP1A2 P05177 1/20 0.31
CA12 O43570 2/20 0.31
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
CA14 Q9ULX7 1/20 0.31
TP53 P04637 2/20 0.31
GABRP O00591 2/20 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
SCHEMBL12648593 0.85 EPHX2 (0.45) EPHX2MEN1KMT2ABCHEACHE
SCHEMBL3203690 0.83 MEN1 (0.40) EPHX2MEN1KMT2ABCHEACHE
SCHEMBL23183620 0.80 EPHX2 (0.60) EPHX2MEN1KMT2AALDH1A1
SCHEMBL5205990 0.80 EPHX2 (0.42) EPHX2MEN1KMT2ABCHEACHE
SCHEMBL9009588 0.79 EPHX2 (0.39) EPHX2MEN1KMT2AALDH1A1HPGD
SCHEMBL3259349 0.77 ALDH1A1 (0.32) ALDH1A1HPGDCA1
SCHEMBL5204001 0.77 EPHX2 (0.47) EPHX2MEN1KMT2ABCHEACHE
SCHEMBL3260547 0.77 ALDH1A1 (0.32) ALDH1A1HPGD
SCHEMBL3261037 0.76 ALDH1A1 (0.32) ALDH1A1HPGDTP53
SCHEMBL3264441 0.76 ALDH1A1 (0.32) EPHX2ALDH1A1HPGDTP53

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 EPHX2 4523/4885MEN1 3690/4885KMT2A 4332/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 EPHX2 4416/4885MEN1 1767/4885KMT2A 4216/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 EPHX2 4631/4885MEN1 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.