SCHEMBL6843355

SCHEMBL6843355

O=C(O)c1ccc(Cc2ccc3ccc(C(=O)NCc4ccc(I)cc4)cc3c2O)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 8/20 0.53
EPHX2 P34913 5/20 0.48
SELL P14151 2/20 0.42
SELP P16109 2/20 0.42
SELE P16581 2/20 0.42
MMP13 P45452 2/20 0.42
PPARG P37231 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
KMT2A Q03164 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
SCHEMBL6843234 0.91 NR1H4 (0.62) NR1H4EPHX2MMP13HDAC3HDAC4
SCHEMBL6193266 0.89 NR1H4 (0.53) NR1H4EPHX2MMP13PPARG
SCHEMBL6843449 0.89 NR1H4 (0.53) NR1H4EPHX2SELLSELPSELE
SCHEMBL6842510 0.89 EPHX2 (0.54) NR1H4EPHX2MMP13PPARGKMT2A
SCHEMBL6842501 0.89 NR1H4 (0.54) NR1H4EPHX2MMP13
SCHEMBL6843392 0.88 NR1H4 (0.52) NR1H4EPHX2MMP13
SCHEMBL6843043 0.86 NR1H4 (0.50) NR1H4EPHX2MMP13PPARGHDAC1
SCHEMBL6192574 0.86 KDM4E (0.51) NR1H4EPHX2MMP13PPARGHDAC3
SCHEMBL6843264 0.86 NR1H4 (0.50) NR1H4EPHX2
SCHEMBL6838118 0.86 MMP13 (0.55) NR1H4EPHX2MMP13HDAC1KMT2A

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 NR1H4 1615/4885EPHX2 2569/4885SELL 1434/4885

“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.