SCHEMBL2793671

SCHEMBL2793671

O=C(O)C(CO)n1cccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.57
HSD17B10 Q99714 1/20 0.57
PPARG P37231 3/20 0.40
TSHR P16473 3/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 3/20 0.36
MAPK1 P28482 2/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL29180304 1.00 NPSR1 (0.57) NPSR1HSD17B10PPARGTSHRHPGD
SCHEMBL14843402 0.79 HSD17B10 (0.55) NPSR1HSD17B10PPARGTSHRHPGD
SCHEMBL1233845 0.79 HSD17B10 (0.55) NPSR1HSD17B10PPARGTSHRHPGD
SCHEMBL3876229 0.79 NPSR1 (0.55) NPSR1HSD17B10PPARGTSHRHPGD
SCHEMBL30469025 0.79 NPSR1 (0.41) NPSR1HSD17B10TSHRHPGDGAA
SCHEMBL5431043 0.79 NPSR1 (0.55) NPSR1HSD17B10PPARGTSHRHPGD
SCHEMBL18258603 0.79 NPSR1 (0.55) NPSR1HSD17B10PPARGTSHRHPGD
SCHEMBL18258629 0.76 NPSR1 (0.52) NPSR1HSD17B10PPARGTSHRHPGD
SCHEMBL5512388 0.76 NPSR1 (0.52) NPSR1HSD17B10PPARGHPGDMAPT
SCHEMBL14843770 0.76 HSD17B10 (0.52) NPSR1HSD17B10PPARGHPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567344-A Environment-friendly preparation method of compound containing chiral pyrrole skeleton 广西中医药大学 2024-02-20 CN disclosed
US-20110065794-A1 Wrinkle-preventing and improving composition SHISEIDO COMPANY, LTD. (JP) 2011-03-17 US disclosed
US-20100168468-A1 WRINKLE-PREVENTING AND IMPROVING COMPOSITION KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-07-01 US disclosed
EP-1908454-A1 WRINKLE-PREVENTIVE/AMELIORATING AGENT SHISEIDO COMPANY, LTD. (JP) 2008-04-09 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 (2 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-20100168468-A1 WRINKLE-PREVENTING AND IMPROVING COMPOSITION COL1A1, COL2A1, COL14A1 NPSR1 2902/4885HSD17B10 632/4885PPARG 62/4885
US-20110065794-A1 Wrinkle-preventing and improving composition COL1A1, COL2A1, COL14A1 NPSR1 2902/4885HSD17B10 632/4885PPARG 62/4885

“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.