SCHEMBL6843384

SCHEMBL6843384

O=C(O)c1ccc(Cc2cc3cc(C(=O)OCc4ccc(S(=O)(=O)N5CC5)cc4)ccc3cc2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.48
PKM P14618 2/20 0.48
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 1/20 0.42
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL6843227 0.89 CA1 (0.39) ALDH1A1TSHRPKMKMT2AMAPT
SCHEMBL6843330 0.87 ALDH1A1 (0.49) ALDH1A1TSHRPKMKMT2AMAPT
SCHEMBL6843461 0.87 CA1 (0.50)
SCHEMBL6842923 0.86 CA1 (0.41) ALDH1A1TSHRKMT2AMAPTMEN1
SCHEMBL6843235 0.85 ALDH1A1 (0.48) ALDH1A1TSHRPKMKMT2AMAPT
SCHEMBL6843366 0.84 ALDH1A1 (0.51) ALDH1A1TSHRKMT2AMAPTMEN1
SCHEMBL6192360 0.84 LMNA (0.50) ALDH1A1TSHRKMT2AMAPTMEN1
SCHEMBL6843226 0.84 ALDH1A1 (0.43) ALDH1A1TSHRPKMKMT2AMAPT
SCHEMBL6843225 0.83 ALDH1A1 (0.44) ALDH1A1TSHRPKMKMT2AMAPT
SCHEMBL6197349 0.83 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTMEN1HPGD

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.