SCHEMBL3210169

SCHEMBL3210169

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

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.68
ALDH1A1 P00352 4/20 0.59
MAPT P10636 3/20 0.55
HPGD P15428 3/20 0.53
GAA P10253 2/20 0.52
CYP1A2 P05177 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CYP1A1 P04798 1/20 0.51
CYP1B1 Q16678 1/20 0.51
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.50
TP53 P04637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50

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
SCHEMBL2676181 0.93 TDP1 (0.58) TDP1ALDH1A1MAPTHPGDGAA
SCHEMBL1520429 0.88 TDP1 (0.72) TDP1ALDH1A1MAPTGAACYP1A2
SCHEMBL9953947 0.86 HTT (0.55) TDP1ALDH1A1MAPTHPGDKDM4E
SCHEMBL23120483 0.85 TDP1 (0.68) TDP1ALDH1A1MAPTHPGDGAA
SCHEMBL8176894 0.85 TDP1 (0.68) TDP1ALDH1A1MAPTHPGDGAA
SCHEMBL29608027 0.85 TDP1 (0.68) TDP1ALDH1A1MAPTHPGDGAA
SCHEMBL3197207 0.85 TDP1 (0.68) TDP1ALDH1A1MAPTHPGDCYP1A2
SCHEMBL5842593 0.84 ALDH1A1 (0.62) TDP1ALDH1A1MAPTHPGDGAA
SCHEMBL5694512 0.84 TDP1 (0.66) TDP1ALDH1A1MAPTHPGDKDM4E
SCHEMBL25033933 0.84 APEX1 (0.62) TDP1ALDH1A1MAPTHPGDGAA

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 TDP1 497/4885ALDH1A1 1501/4885MAPT 2499/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 TDP1 805/4885ALDH1A1 3543/4885MAPT 2324/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 TDP1 440/4885ALDH1A1 1151/4885MAPT 2212/4885

“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.