SCHEMBL6845362

SCHEMBL6845362

O=C(O)c1ccc(C(O)c2ccc3ccc(C(=O)OCc4ccc(S(=O)(=O)O)cc4)cc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA12 O43570 2/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
CA4 P22748 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RARA P10276 3/20 0.37
RARB P10826 3/20 0.37
RARG P13631 3/20 0.37
SRD5A2 P31213 1/20 0.36

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
SCHEMBL6843386 0.91 CA1 (0.41) CA1CA2CA9CA12CA14
SCHEMBL6842383 0.91 CA1 (0.55) CA1CA2CA9CA12CA14
SCHEMBL6843115 0.88 ALDH1A1 (0.52) CA1CA2CA9CA12CA14
SCHEMBL6842989 0.87 CA12 (0.38) CA1CA2CA9CA12CA14
SCHEMBL6194312 0.87 MAPT (0.50) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL6844635 0.86 RXRA (0.46) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL6845387 0.86 RXRA (0.46) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL6843051 0.86 MAPT (0.49) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL6843419 0.86 RXRA (0.43) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL6844741 0.86 NR4A2 (0.46) MAPTALDH1A1NPC1RAB9ALMNA

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-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-03-04 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-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors MMP9, MMP8, MMP13 CA1 2024/4885CA2 982/4885CA9 508/4885

“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.