SCHEMBL3207265

SCHEMBL3207265

CC(C)N(C)CCC(=O)O.NC(=O)N1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP1 P03956 3/20 0.34
MMP2 P08253 3/20 0.34
MMP8 P22894 3/20 0.34
MMP3 P08254 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
F2R P25116 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
DPP7 Q9UHL4 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
SCHEMBL3197235 1.00 CYP1A2 (0.34) CYP1A2MAPK1SMN1; SMN2MMP1MMP2
SCHEMBL3197688 0.98 ITGB3 (0.32) CYP1A2MAPK1SMN1; SMN2MMP1MMP2
SCHEMBL3199257 0.86 CYP1A2 (0.35) CYP1A2MAPK1SMN1; SMN2MMP1MMP2
SCHEMBL3203013 0.86 CYP1A2 (0.35) CYP1A2MAPK1SMN1; SMN2MMP1MMP2
SCHEMBL3187039 0.84 GAA (0.33) CYP1A2MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL3197672 0.84 CYP1A2 (0.38) CYP1A2MAPK1SMN1; SMN2ALDH1A1ITGB3
SCHEMBL3204020 0.84 CYP1A2 (0.38) CYP1A2MAPK1SMN1; SMN2ALDH1A1ITGB3
SCHEMBL3210449 0.82 L3MBTL1 (0.34) CYP1A2MAPK1SMN1; SMN2MMP1MMP2
SCHEMBL3187358 0.82 L3MBTL1 (0.34) CYP1A2MAPK1SMN1; SMN2MMP1MMP2
SCHEMBL3197130 0.82 KDM4A (0.38) CYP1A2MAPK1SMN1; SMN2ITGB3ITGA2B

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 CYP1A2 3833/4885MAPK1 2330/4885SMN1; SMN2 24/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 CYP1A2 3980/4885MAPK1 2393/4885SMN1; SMN2 3451/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 CYP1A2 3658/4885MAPK1 2010/4885SMN1; SMN2 29/4885

“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.