Sugi Predict

Sugi Predict / Compounds / SCHEMBL3203439

SCHEMBL3203439

SCHEMBL3203439

CCN(CC)CCC(=O)O.NC(=O)N1CCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ KDM5A P29375 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ F2 P00734 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ ALDH2 P05091 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MITF O75030 1/20 0.33

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
SCHEMBL3187043 1.00 L3MBTL1 (0.38) L3MBTL1KMT2AMEN1TDP1POLB
SCHEMBL3199509 0.98 HRH3 (0.36) L3MBTL1KMT2AMEN1TDP1POLB
SCHEMBL3207402 0.92 HRH3 (0.39) L3MBTL1KMT2AMEN1TDP1POLB
SCHEMBL3197423 0.92 HRH3 (0.39) L3MBTL1KMT2AMEN1TDP1POLB
SCHEMBL3204014 0.91 KDM5A (0.39) L3MBTL1KMT2AMEN1TDP1POLB
SCHEMBL3196933 0.89 L3MBTL1 (0.40) L3MBTL1KMT2AMEN1TDP1MAPK1
SCHEMBL3213464 0.89 L3MBTL1 (0.40) L3MBTL1KMT2AMEN1TDP1MAPK1
SCHEMBL3214312 0.87 MEN1 (0.32) L3MBTL1KMT2AMEN1TDP1POLB
SCHEMBL3214473 0.87 MEN1 (0.32) L3MBTL1KMT2AMEN1TDP1POLB
SCHEMBL3206435 0.87 L3MBTL1 (0.39) L3MBTL1KMT2AMEN1TDP1TSHR

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 5 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

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