SCHEMBL3261322

SCHEMBL3261322

CCN(C1CCCCC1)N(C(=O)CCN)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ADH1C P00326 2/20 0.33
ADH1A P07327 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ADH1B P00325 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
POLB P06746 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 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
SCHEMBL3264064 0.89 ADH1A (0.36) L3MBTL1MEN1KMT2AADH1CADH1A
SCHEMBL3261528 0.83 ADH1B (0.33) L3MBTL1MEN1KMT2AADH1CADH1A
SCHEMBL3264506 0.82 ADH1B (0.35) L3MBTL1MEN1KMT2AADH1CADH1A
SCHEMBL3260556 0.80 L3MBTL1 (0.41) L3MBTL1MEN1KMT2AADH1CADH1A
SCHEMBL3264062 0.80 L3MBTL1 (0.41) L3MBTL1MEN1KMT2AADH1CADH1A
SCHEMBL3263172 0.77 L3MBTL1 (0.39) L3MBTL1MEN1KMT2AADH1CADH1A
SCHEMBL25982230 0.74 L3MBTL1 (0.63) L3MBTL1MEN1KMT2AALDH1A1SLC6A2
SCHEMBL3263165 0.73 ALDH1A1 (0.36) L3MBTL1MEN1KMT2AADH1CADH1A
SCHEMBL3261126 0.72 CYP1A2 (0.31)
SCHEMBL3264991 0.72 ADH1A (0.39) L3MBTL1MEN1KMT2AADH1CADH1A

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.