SCHEMBL3207722

SCHEMBL3207722

CCNCCC(=O)N(C)CC

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
PAOX Q6QHF9 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 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
SCHEMBL5411698 0.80 LMNA (0.56) CYP2C19LMNAMEN1GLAKMT2A
SCHEMBL3260084 0.79 LMNA (0.31) CYP2C19LMNAMEN1GLAKMT2A
SCHEMBL3259330 0.79 PHF8 (0.33) CYP2C19LMNAMEN1GLAKMT2A
SCHEMBL3260371 0.78 PHF8 (0.50) CYP2C19MEN1GLAKMT2AALDH1A1
SCHEMBL25089853 0.75 HRH3 (0.33) LMNAALDH1A1TSHR
SCHEMBL27720935 0.75 MEN1 (0.50) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL3261780 0.75 LMNA (0.31) CYP2C19LMNAMEN1GLAKMT2A
SCHEMBL23230291 0.75 MEN1 (0.32) CYP2C19MEN1GLAKMT2AALDH1A1
SCHEMBL19189991 0.74 KDM4E (0.41) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL19189957 0.74 ALDH1A1 (0.35) MEN1KMT2AALDH1A1TSHRPAOX

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 CYP2C19 4474/4885LMNA 133/4885MEN1 3690/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 CYP2C19 4494/4885LMNA 277/4885MEN1 1767/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 CYP2C19 4454/4885LMNA 105/4885MEN1 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.