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Sugi Predict / Compounds / SCHEMBL3260405

SCHEMBL3260405

SCHEMBL3260405

CC(C)N(C(=O)CCN)N(C(C)C)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ GABRB2 P47870 2/20 0.32
▸ GABRA4 P48169 2/20 0.32
▸ GABRE P78334 2/20 0.32
▸ GABRA6 Q16445 2/20 0.32
▸ GABRG1 Q8N1C3 2/20 0.32
▸ GABRG3 Q99928 2/20 0.32
▸ GABRQ Q9UN88 2/20 0.32
▸ GABRR1 P24046 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
SCHEMBL3260827 0.83 PHF8 (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3261126 0.79 CYP1A2 (0.31) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3260404 0.78 PHF8 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3263887 0.78 CYP1A2 (0.31) —
SCHEMBL3261956 0.78 CYP1A2 (0.31) —
SCHEMBL3259349 0.76 ALDH1A1 (0.32) —
SCHEMBL3259602 0.75 GABRR1 (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3261037 0.75 ALDH1A1 (0.32) —
SCHEMBL3259447 0.75 ALDH1A1 (0.32) —
SCHEMBL2835998 0.75 GABRP (0.36) GABRPGABRDGABRA1GABRB1GABRG2

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 GABRP 2599/4885GABRD 1008/4885GABRA1 1676/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 GABRP 3986/4885GABRD 4071/4885GABRA1 4400/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 GABRP 2389/4885GABRD 941/4885GABRA1 1620/4885

“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.