SCHEMBL2676181

SCHEMBL2676181

COc1ccc(NCCCC(=O)O)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
CYP1A2 P05177 2/20 0.51
GAA P10253 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
KDM4E B2RXH2 1/20 0.49
TSHR P16473 1/20 0.49
TP53 P04637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL3210169 0.93 TDP1 (0.68) TDP1ALDH1A1MAPTHPGDNPC1
SCHEMBL5842593 0.83 ALDH1A1 (0.62) TDP1ALDH1A1MAPTHPGDNPC1
SCHEMBL2677328 0.82 CHRM2 (0.60) TDP1ALDH1A1HPGDGAAMEN1
SCHEMBL1520429 0.81 TDP1 (0.72) TDP1ALDH1A1MAPTCYP1A2GAA
SCHEMBL2434485 0.80 ALDH1A1 (0.57) TDP1ALDH1A1MAPTHPGDCYP1A2
SCHEMBL9830719 0.79 ALDH1A1 (0.54) TDP1ALDH1A1MAPTHPGDNPC1
SCHEMBL2677706 0.79 TP53 (0.61) ALDH1A1HPGDNPC1RAB9AGAA
SCHEMBL9953947 0.79 HTT (0.55) TDP1ALDH1A1MAPTHPGDMEN1
SCHEMBL2677428 0.78 GAA (0.61) TDP1ALDH1A1MAPTNPC1RAB9A
SCHEMBL10860276 0.78 ALDH1A1 (0.51) ALDH1A1MAPTHPGDMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173705-B2 Agent for alleviating wrinkles SHISEIDO COMPANY LTD. (JP) 2012-05-08 US disclosed
US-20100113450-A1 Agent for Preventing and Alleviating Wrinkles SHISEIDO COMPANY LTD. (JP) 2010-05-06 US disclosed
EP-2123253-A1 WRINKLING-PREVENTING AND -MODIFYING AGENT Shiseido Company, Ltd. (JP) 2009-11-25 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 (1 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-20100113450-A1 Agent for Preventing and Alleviating Wrinkles GABRB1, GABRB2, GABBR1 TDP1 1395/4885ALDH1A1 392/4885MAPT 2244/4885

“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.