SCHEMBL3209008

SCHEMBL3209008

COc1cc(NCCC(=O)O)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
TSHR P16473 5/20 0.53
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
GAA P10253 3/20 0.53
NFKB1 P19838 2/20 0.53
KDM1A O60341 2/20 0.49
ALOX5 P09917 2/20 0.49
OR51E2 Q9H255 1/20 0.49
HTT P42858 3/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HSD17B10 Q99714 3/20 0.48
MAPT P10636 2/20 0.48
CASP1 P29466 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2D6 P10635 2/20 0.46

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
SCHEMBL3208022 0.88 POLB (0.55) POLBTSHRALDH1A1TDP1GAA
SCHEMBL3210474 0.88 POLB (0.58) POLBTSHRALDH1A1TDP1GAA
SCHEMBL3661649 0.84 TSHR (0.55) POLBTSHRALDH1A1TDP1GAA
SCHEMBL8154116 0.82 POLB (0.55) POLBTSHRALDH1A1TDP1GAA
SCHEMBL3196834 0.80 MAPT (0.55) POLBTSHRALDH1A1TDP1GAA
SCHEMBL3225860 0.80 POLB (0.50) POLBTSHRALDH1A1TDP1HTT
SCHEMBL3207404 0.80 POLB (0.54) POLBALDH1A1TDP1MEN1KMT2A
Sulfuric Acid SCHEMBL28773665 0.79 TSHR (0.50) POLBTSHRALDH1A1TDP1GAA
SCHEMBL3229859 0.79 MAPT (0.56) POLBTSHRALDH1A1HTTMEN1
SCHEMBL2676309 0.79 POLB (0.56) POLBALDH1A1GAAMEN1KMT2A

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 POLB 1408/4885TSHR 4713/4885ALDH1A1 1501/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 POLB 1724/4885TSHR 4711/4885ALDH1A1 3543/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 POLB 882/4885TSHR 4731/4885ALDH1A1 1151/4885

“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.