SCHEMBL3261786

SCHEMBL3261786

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
MITF O75030 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
PAX8 Q06710 1/20 0.30
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3264201 0.90 L3MBTL1 (0.36) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3259083 0.88 ADH1A (0.37) ALDH1A1L3MBTL1
SCHEMBL3263457 0.84 ADH1C (0.35) ALDH1A1L3MBTL1
SCHEMBL3261528 0.81 ADH1B (0.33) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3264062 0.74 L3MBTL1 (0.41) ALDH1A1L3MBTL1KDM4EMEN1NPC1
SCHEMBL3259464 0.72 ALDH1A1 (0.41) ALDH1A1
SCHEMBL3264991 0.72 ADH1A (0.39) ALDH1A1L3MBTL1KDM4EMEN1NPC1
SCHEMBL4616663 0.71 ALDH1A1 (0.39) ALDH1A1
SCHEMBL3263172 0.71 L3MBTL1 (0.39) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3262162 0.71 ALDH1A1 (0.35) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2

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 ALDH1A1 1501/4885L3MBTL1 874/4885KDM4E 4157/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ALDH1A1 3543/4885L3MBTL1 1100/4885KDM4E 3885/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ALDH1A1 1151/4885L3MBTL1 999/4885KDM4E 4258/4885

“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.