SCHEMBL3210116

SCHEMBL3210116

CCOc1ccccc1NCCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.67
GAA P10253 2/20 0.60
HSD17B10 Q99714 2/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
PDE10A Q9Y233 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
GLA P06280 1/20 0.54
POLB P06746 1/20 0.52
KMT2A Q03164 5/20 0.51
KDM4E B2RXH2 1/20 0.51
TSHR P16473 2/20 0.51
EGFR P00533 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.49
MCL1 Q07820 1/20 0.49
HCRTR1 O43613 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
SCHEMBL3214613 0.88 KMT2A (0.56) CYP2C19GAAHSD17B10ALDH1A1HPGD
SCHEMBL3197597 0.87 NPSR1 (0.59) CYP2C19GAAHSD17B10ALDH1A1HPGD
SCHEMBL5515496 0.86 ALDH1A1 (0.57) CYP2C19GAAHSD17B10ALDH1A1HPGD
SCHEMBL9829332 0.85 GAA (0.57) CYP2C19GAAHSD17B10L3MBTL1GLA
SCHEMBL5297530 0.84 L3MBTL1 (0.62) CYP2C19GAAALDH1A1L3MBTL1GLA
SCHEMBL3213693 0.84 ALDH1A1 (0.58) GAAHSD17B10ALDH1A1HPGDL3MBTL1
SCHEMBL30063371 0.84 ALDH1A1 (0.58) GAAHSD17B10ALDH1A1HPGDL3MBTL1
SCHEMBL20508889 0.83 GAA (0.56) CYP2C19GAAHSD17B10ALDH1A1L3MBTL1
SCHEMBL8470228 0.80 ALDH1A1 (0.55) CYP2C19GAAHSD17B10ALDH1A1L3MBTL1
SCHEMBL9289413 0.80 GAA (0.53) CYP2C19GAAHSD17B10ALDH1A1L3MBTL1

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 4474/4885GAA 43/4885HSD17B10 1123/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 CYP2C19 4494/4885GAA 486/4885HSD17B10 2725/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 CYP2C19 4454/4885GAA 40/4885HSD17B10 1334/4885

“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.