SCHEMBL23898458

SCHEMBL23898458

CCCCc1ccc(COc2ccc(CO)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.58
▸ EPHX2 P34913 1/20 0.58
▸ HRH3 Q9Y5N1 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ SLCO1B3 Q9NPD5 1/20 0.51
▸ SLCO1B1 Q9Y6L6 1/20 0.51
▸ BCHE P06276 2/20 0.50
▸ THRB P10828 1/20 0.46
▸ FFAR1 O14842 1/20 0.46
▸ ESR1 P03372 2/20 0.46
▸ ADRA2A P08913 2/20 0.46
▸ ADORA3 P0DMS8 2/20 0.46

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
SCHEMBL9815726 0.88 SLC6A2 (0.61) LTA4HEPHX2HRH3ALDH1A1LMNA
SCHEMBL16440938 0.84 HRH3 (0.55) LTA4HEPHX2HRH3ALDH1A1LMNA
SCHEMBL27312245 0.84 LTA4H (0.70) LTA4HEPHX2LMNABCHEFFAR1
SCHEMBL16440934 0.84 HRH3 (0.55) LTA4HEPHX2HRH3ALDH1A1LMNA
SCHEMBL13483788 0.84 HRH3 (0.55) LTA4HEPHX2HRH3ALDH1A1MAPK1
SCHEMBL358689 0.83 CA2 (0.59) ALDH1A1LMNACYP3A4SMN1; SMN2THRB
SCHEMBL9815722 0.83 HRH3 (0.54) LTA4HEPHX2HRH3BCHEFFAR1
SCHEMBL16440940 0.83 MAOB (0.63) LTA4HEPHX2HRH3BCHE
SCHEMBL16428970 0.83 HRH3 (0.54) LTA4HEPHX2HRH3CYP3A4BCHE
SCHEMBL18637175 0.82 RXRA (0.64) LTA4HEPHX2HRH3LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210308660-A1 CROSS-COUPLING REACTION CATALYST N.E. CHEMCAT CORPORATION (JP) 2021-10-07 — — 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-20210308660-A1 CROSS-COUPLING REACTION CATALYST RRS1, RER1, CBR1 LTA4H 1426/4885EPHX2 537/4885HRH3 9/4885

“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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