SCHEMBL4905801

SCHEMBL4905801

O=C(c1ccccc1)C(O)(O)CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 5/20 0.52
▸ SRC P12931 1/20 0.47
▸ MAPK1 P28482 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CES2 O00748 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ DAO P14920 1/20 0.44
▸ NAPRT Q6XQN6 1/20 0.44
▸ GSK3B P49841 2/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ TRPA1 O75762 1/20 0.41

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
SCHEMBL11284817 0.82 CES1 (0.52) CES1SRCMAPK1MAPTTDP1
SCHEMBL11521626 0.79 CES1 (0.54) CES1SRCMAPK1MAPTTDP1
SCHEMBL36374 0.78 CES1 (0.48) CES1SRCMAPK1MAPTTDP1
SCHEMBL8759046 0.78 SRC (0.48) CES1SRCMAPK1MAPTTDP1
SCHEMBL10471882 0.77 SRC (0.47) CES1SRCMAPK1MAPTTDP1
SCHEMBL8071585 0.77 CES1 (0.47) CES1SRCMAPK1MAPTTDP1
SCHEMBL11341422 0.76 CES1 (0.56) CES1SRCMAPTTDP1CYP3A4
SCHEMBL13044333 0.76 CES1 (0.50) CES1SRCMAPK1MAPTTDP1
SCHEMBL759622 0.76 CES1 (0.50) CES1SRCMAPK1MAPTTDP1
SCHEMBL669851 0.75 CES1 (0.61) CES1SRCMAPK1MAPTTDP1

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-114605764-A Carrier composition for inorganic fine particle dispersion, inorganic fine particle dispersion slurry composition, and method for producing inorganic fine particle dispersible tablet 积水化学工业株式会社 2022-06-10 — — CN disclosed
CN-112585212-B Carrier composition for inorganic fine particle dispersion, inorganic fine particle dispersion slurry composition, and method for producing inorganic fine particle dispersible tablet 积水化学工业株式会社 2022-04-19 — — CN disclosed
CN-112585212-A Carrier composition for inorganic fine particle dispersion, inorganic fine particle dispersion slurry composition, and method for producing inorganic fine particle dispersible tablet 积水化学工业株式会社 2021-03-30 — — CN disclosed
US-20080254130-A1 Skin Antiaging & Brightening via Multi-function Treatment of Enzyme Dysfunction BIODERM RESEARCH (US) 2008-10-16 — — US 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-20080254130-A1 Skin Antiaging & Brightening via Multi-function Treatment of Enzyme Dysfunction PSMB1, PLOD3, CUTA CES1 1542/4885SRC 3657/4885MAPK1 2482/4885

“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.

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