SCHEMBL5124930

SCHEMBL5124930

OCc1ccc(Oc2ccc(O)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 7/20 0.68
▸ ESR1 P03372 3/20 0.67
▸ ESR2 Q92731 3/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ NR1H2 P55055 1/20 0.56
▸ BAX Q07812 1/20 0.56
▸ PARP10 Q53GL7 1/20 0.47
▸ CA2 P00918 1/20 0.46
▸ TTR P02766 1/20 0.46
▸ CALM1 P0DP23 1/20 0.45
▸ APP P05067 1/20 0.45

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
SCHEMBL5342317 0.90 LTA4H (0.81) LTA4HESR1ESR2MEN1KMT2A
Parahydroxybenzyl Alcohol SCHEMBL62690 0.84 — —
SCHEMBL12804905 0.83 ESR1 (0.70) LTA4HESR1ESR2MEN1KMT2A
SCHEMBL5488305 0.83 ESR1 (0.70) LTA4HESR1ESR2MEN1KMT2A
SCHEMBL14421265 0.83 ESR1 (0.70) LTA4HESR1ESR2MEN1KMT2A
SCHEMBL12804316 0.83 ESR1 (0.70) LTA4HESR1ESR2MEN1KMT2A
Ethylene Glycol SCHEMBL3402355 0.82 MEN1 (0.78) LTA4HESR1ESR2MEN1KMT2A
SCHEMBL24780222 0.82 APP (0.68) LTA4HMEN1KMT2APARP10APP
Parahydroxybenzyl Alcohol SCHEMBL10792062 0.82 ESR1 (0.58) LTA4HESR1ESR2MEN1KMT2A
Parahydroxybenzyl Alcohol SCHEMBL27929616 0.82 ESR1 (0.58) LTA4HESR1ESR2MEN1KMT2A

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
EP-1481965-B1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS ENDO HITOSHI (JP) 2015-07-29 — — EP disclosed
US-7345068-B2 Aromatic amino acid derivatives and medicinal compositions Endou, Hitoshi (JP) 2008-03-18 — — US disclosed
US-20050119256-A1 Aromatic amino acid derivates and medicinal compositions HITOSHI ENDOU (JP) 2005-06-02 — — US disclosed
EP-1481965-A1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS Endo, Hitoshi (JP) 2004-12-01 — — 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-20050119256-A1 Aromatic amino acid derivates and medicinal compositions SLC7A1, SLC1A5, SLC7A5 LTA4H 2630/4885ESR1 2959/4885ESR2 2545/4885

“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.

Send feedback