SCHEMBL6845360

SCHEMBL6845360

O=C(O)c1ccc(Cc2ccc3ccc(C(=O)OCc4ccc(S(=O)(=O)O)cc4)cc3c2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.38
PIM1 P11309 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA4 P22748 1/20 0.37
LMNA P02545 2/20 0.37
CA14 Q9ULX7 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
ING2 Q9H160 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
SCHEMBL6843382 0.91 MAPT (0.40) MEN1KMT2AMAPTPIM1NPC1
SCHEMBL6842379 0.91 CA1 (0.49) CA12CA1CA2CA9CA4
SCHEMBL6843235 0.89 ALDH1A1 (0.48) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL6843114 0.88 ALDH1A1 (0.51) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6843224 0.88 LMNA (0.50) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6844736 0.86 NR4A2 (0.45) MEN1KMT2AMAPTPIM1NPC1
SCHEMBL6845385 0.86 RXRA (0.45) MEN1KMT2APIM1NPC1RAB9A
SCHEMBL6843050 0.86 MAPT (0.46) MEN1KMT2AMAPTPIM1NPC1
SCHEMBL6843418 0.86 SRD5A2 (0.45) MEN1KMT2AMAPTPIM1NPC1
SCHEMBL6844631 0.86 RXRA (0.45) MEN1KMT2AMAPTPIM1NPC1

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 MEN1 2172/4885KMT2A 4149/4885MAPT 1745/4885

“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.