SCHEMBL6155030

SCHEMBL6155030

O=C(N[C@H]1CCCCCC=CCC[C@H](C(=O)O)NC(=O)C2C[C@@H](OC(=O)N3CCc4ccccc4C3)C[N+]2C1=O)OC1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KEAP1 Q14145 1/20 0.34
▸ MME P08473 10/20 0.33
▸ ACE P12821 5/20 0.33
▸ FAP Q12884 2/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ DPP8 Q6V1X1 2/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ DPP9 Q86TI2 1/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL3805802 0.81 DDB1 (0.34) —
SCHEMBL330153 0.79 ALDH1A1 (0.34) POLBALDH1A1MAPTTDP1KEAP1
SCHEMBL3369229 0.75 DDB1 (0.34) —
SCHEMBL3375542 0.74 DDB1 (0.36) MMEACEDPP8DPP9DPP7
SCHEMBL16242435 0.72 EPHX2 (0.33) —
SCHEMBL5611990 0.71 RAMP1 (0.34) MMEPDE4B
SCHEMBL3811327 0.71 GAA (0.33) —
SCHEMBL3814044 0.70 GAA (0.34) —
SCHEMBL3059428 0.70 NAAA (0.33) —
SCHEMBL13623482 0.70 POLB (0.38) POLBALDH1A1MAPTTDP1KEAP1

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-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication HOFFMANN-LA ROCHE INC. 2005-12-01 — — 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-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication EIF2AK2, HAVCR2, ZC3HAV1 POLB 730/4885ALDH1A1 2109/4885MAPT 4563/4885

“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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