SCHEMBL4178228

SCHEMBL4178228

O=C(NC(CO)C(=O)O)OC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.44
CA2 P00918 2/20 0.43
TSHR P16473 2/20 0.43
TGFBR1 P36897 2/20 0.43
TP53 P04637 1/20 0.43
CA1 P00915 1/20 0.43
F2 P00734 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
PPARD Q03181 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4173742 1.00 MME (0.44) MMECA2TSHRTGFBR1TP53
SCHEMBL4182695 1.00 MME (0.44) MMECA2TSHRTGFBR1TP53
SCHEMBL11059105 0.86 GAA (0.48) MMECA2TSHRTP53CA1
SCHEMBL10566173 0.86 TSHR (0.42) TSHRTP53F2LMNAALDH1A1
SCHEMBL4819455 0.86 GAA (0.48) MMECA2TSHRTP53CA1
SCHEMBL10566164 0.86 TSHR (0.42) TSHRTP53F2LMNAALDH1A1
SCHEMBL11436766 0.86 TSHR (0.42) TSHRTP53F2LMNAALDH1A1
SCHEMBL4582283 0.84 MME (0.54) MMECA2CA1PPARG
SCHEMBL3094213 0.83 TDP1 (0.51) MMELMNAALDH1A1PPARGPPARA
SCHEMBL27773632 0.81 MTNR1A (0.44) CA2TSHRTP53LMNAALDH1A1

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
EP-1884230-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT OR AGENT FOR PREVENTING/AMELIORATING ROUGH SKIN AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-02-06 EP claimed
US-20090215893-A1 Parakeratosis inhibitor, pore-shrinking agent,or rough skin preventing/ameliorating agent, and external composition for skin SHISEIDO COMPANY LTD (JP) 2009-08-27 US disclosed
EP-1884230-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT OR AGENT FOR PREVENTING/AMELIORATING ROUGH SKIN AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-02-06 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-20090215893-A1 Parakeratosis inhibitor, pore-shrinking agent,or rough skin preventing/ameliorating agent, and external composition for skin CUTA, STOM, MTOR MME 469/4885CA2 1657/4885TSHR 4647/4885

“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.