SCHEMBL6842474

SCHEMBL6842474

COc1ccc(CNC(=O)c2ccc3cc(O)c(C(O)c4ccc(C(=O)O)cc4)cc3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NR1H4 Q96RI1 5/20 0.53
MMP13 P45452 3/20 0.52
HDAC1 Q13547 1/20 0.48
EPHX2 P34913 2/20 0.47
PPARG P37231 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
TP53 P04637 2/20 0.46
HPGDS O60760 1/20 0.45

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
SCHEMBL6843414 0.90 NR1H4 (0.55) ALDH1A1NR1H4MMP13HDAC1EPHX2
SCHEMBL6842679 0.90 MMP13 (0.62) RAB9ANR1H4MMP13CYP2C9HPGD
SCHEMBL6842637 0.89 NR1H4 (0.61) ALDH1A1NR1H4MMP13HDAC1EPHX2
SCHEMBL6845319 0.88 NR1H4 (0.55) NR1H4MMP13HDAC1EPHX2PPARG
SCHEMBL6843207 0.88 NR1H4 (0.55) ALDH1A1NR1H4MMP13HDAC1EPHX2
SCHEMBL6843326 0.88 NR1H4 (0.55) NPC1RAB9AALDH1A1SMN1; SMN2NR1H4
SCHEMBL6843480 0.88 NR1H4 (0.55) RAB9AALDH1A1SMN1; SMN2NR1H4MMP13
SCHEMBL6195305 0.88 NPC1 (0.61) NPC1RAB9AALDH1A1SMN1; SMN2NR1H4
SCHEMBL6838329 0.88 NR1H4 (0.50) ALDH1A1SMN1; SMN2NR1H4EPHX2PPARG
SCHEMBL6845408 0.87 NR1H4 (0.51) ALDH1A1NR1H4MMP13HDAC1EPHX2

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 NPC1 267/4885RAB9A 976/4885ALDH1A1 1588/4885

“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.