SCHEMBL6842637

SCHEMBL6842637

O=C(O)c1ccc(C(O)c2cc3cc(C(=O)NCc4ccccc4)ccc3cc2O)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.61
HDAC1 Q13547 4/20 0.48
HDAC2 Q92769 4/20 0.48
EPHX2 P34913 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
MMP13 P45452 1/20 0.46
PLAU P00749 1/20 0.46
HPGD P15428 2/20 0.44
EGFR P00533 3/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL6845366 0.91 NR1H4 (0.52) NR1H4HDAC1HDAC2EPHX2HDAC3
SCHEMBL6843326 0.91 NR1H4 (0.55) NR1H4HDAC1HDAC2EPHX2HDAC8
SCHEMBL6843414 0.91 NR1H4 (0.55) NR1H4HDAC1HDAC2EPHX2HDAC8
SCHEMBL6843480 0.91 NR1H4 (0.55) NR1H4HDAC1HDAC2EPHX2HDAC8
SCHEMBL6845319 0.91 NR1H4 (0.55) NR1H4HDAC1HDAC2EPHX2HDAC8
SCHEMBL6843207 0.91 NR1H4 (0.55) NR1H4HDAC1HDAC2EPHX2HDAC8
SCHEMBL6843373 0.89 LMNA (0.48) NR1H4MMP13HPGDALDH1A1
SCHEMBL6842474 0.89 NPC1 (0.54) NR1H4HDAC1EPHX2MMP13HPGD
SCHEMBL6842679 0.88 MMP13 (0.62) NR1H4MMP13HPGD
SCHEMBL6844744 0.88 CA2 (0.53) NR1H4EPHX2

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 1615/4885HDAC1 665/4885HDAC2 1146/4885

“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.