SCHEMBL6360285

SCHEMBL6360285

CO[C@@H]1O[C@H]([C@H](O)[C@@H](C(=O)O)N(Cc2ccccc2)Cc2ccccc2)[C@H]2OC(C)(C)O[C@@H]12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ BCHE P06276 3/20 0.35
▸ MMP9 P14780 3/20 0.34
▸ MMP12 P39900 2/20 0.34
▸ VEGFA P15692 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC11 Q96DB2 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
SCHEMBL6360519 1.00 ALDH1A1 (0.36) ALDH1A1POLBLMNAHSD17B10L3MBTL1
SCHEMBL6359630 0.76 CTSL (0.41) ALDH1A1POLBLMNAHSD17B10BCHE
SCHEMBL24146503 0.72 EPHX1 (0.43) ALDH1A1POLBL3MBTL1MEN1HPGD
SCHEMBL6364140 0.72 SLC1A3 (0.31) —
SCHEMBL23323211 0.72 EPHX1 (0.43) ALDH1A1POLBL3MBTL1MEN1HPGD
SCHEMBL6360221 0.72 SLC1A3 (0.31) —
SCHEMBL23880053 0.70 ALDH1A1 (0.37) ALDH1A1VEGFA
SCHEMBL16300870 0.69 ALDH1A1 (0.44) ALDH1A1POLBLMNAL3MBTL1BCHE
SCHEMBL882116 0.69 ALDH1A1 (0.44) ALDH1A1POLBLMNAL3MBTL1BCHE
SCHEMBL384061 0.69 ALDH1A1 (0.44) ALDH1A1POLBLMNAL3MBTL1BCHE

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
US-6858591-B2 Antibiotic AA 896 analogs WYETH HOLDINGS CORPORATION (US) 2005-02-22 — — US disclosed
US-20030087874-A1 2-amino-3-hydroxy-3-uridyl-propanoic acid ester derivatives AMERICAN CYANAMID COMPANY 2003-05-08 — — US disclosed
WO-2002086139-A1 ANTIBIOTIC AA 896 ANALOGS WYETH HOLDINGS CORPORATION (US) 2002-10-31 — — WO 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-20030087874-A1 2-amino-3-hydroxy-3-uridyl-propanoic acid ester derivatives UMPS, METTL3, FPR3 ALDH1A1 191/4885POLB 1782/4885LMNA 3483/4885

“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