SCHEMBL6844813

SCHEMBL6844813

O=C(O)c1ccc(Cc2cnc3ccc(C(=O)OCc4ccc(S(=O)(=O)N5CC5)cc4)cc3c2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
GBA1 P04062 1/20 0.41
RAB9A P51151 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.39
CYP2C9 P11712 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL6838124 0.90 TP53 (0.38) ALDH1A1TSHRPKMMAPTMEN1
SCHEMBL6844727 0.87 CA1 (0.46)
SCHEMBL6985837 0.87 TP53 (0.39) MAPTMEN1KMT2A
SCHEMBL6843235 0.85 ALDH1A1 (0.48) ALDH1A1TSHRPKMMAPTMEN1
SCHEMBL6196320 0.85 LMNA (0.46) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL6842428 0.85 ALDH1A1 (0.48) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL6191280 0.84 NAMPT (0.53) ALDH1A1RAB9A
SCHEMBL6845415 0.83 PAX8 (0.42) ALDH1A1PKMMAPTMEN1KMT2A
SCHEMBL6842398 0.83 MAPT (0.41) TSHRMAPTMEN1KMT2ARAB9A
SCHEMBL6842986 0.83 NR4A2 (0.44) ALDH1A1MAPTMEN1KMT2AL3MBTL1

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 ALDH1A1 1588/4885TSHR 3787/4885PKM 1893/4885

“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.