SCHEMBL3203690

SCHEMBL3203690

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
EPHX2 P34913 1/20 0.34
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
PRSS1 P07477 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 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
SCHEMBL3208685 0.83 EPHX2 (0.42) MEN1KMT2AEPHX2F2PLG
SCHEMBL17285706 0.82 EPHX2 (0.39) MEN1KMT2AEPHX2LMNALTB4R2
SCHEMBL24671536 0.82 MEN1 (0.33) MEN1KMT2ALMNAGABRPGABRD
SCHEMBL8230227 0.81 KMT2A (0.35) MEN1KMT2AEPHX2BCHEACHE
SCHEMBL8230229 0.79 LMNA (0.45) MEN1KMT2AEPHX2BCHEACHE
Hydrochloric Acid SCHEMBL15512331 0.79 GABRR1 (0.35) MEN1KMT2ALMNAGABRPGABRD
SCHEMBL12928359 0.78 ALDH1A1 (0.52) MEN1KMT2AEPHX2BCHEACHE
SCHEMBL5211071 0.78 MEN1 (0.36) MEN1KMT2AEPHX2BCHEACHE
SCHEMBL2370131 0.77 ALDH1A1 (0.37) MEN1KMT2AEPHX2LMNA
SCHEMBL3210649 0.76 ALDH1A1 (0.38) MEN1KMT2AEPHX2F2PLG

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 MEN1 3690/4885KMT2A 4332/4885EPHX2 4523/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 MEN1 1767/4885KMT2A 4216/4885EPHX2 4416/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 MEN1 3470/4885KMT2A 4416/4885EPHX2 4631/4885

“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.