SCHEMBL6843097

SCHEMBL6843097

O=C(O)c1ccc(C(O)c2ccc3ccc(C(=O)NCc4ccc5c(c4)CCO5)cc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
NR1H4 Q96RI1 3/20 0.48
EGLN1 Q9GZT9 1/20 0.48
NPC1 O15118 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CHRM4 P08173 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
MMP13 P45452 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL6217032 0.88 RAB9A (0.54) RAB9ANR1H4EGLN1NPC1POLB
SCHEMBL6193923 0.86 RAB9A (0.62) RAB9ANR1H4EGLN1NPC1POLB
SCHEMBL6195058 0.83 CXCR3 (0.40) RAB9ANPC1POLBCHRM4TAS1R3
SCHEMBL6212014 0.81 NR1H4 (0.48) NR1H4MAPTMMP13EPHX2
SCHEMBL6193966 0.81 NR1H4 (0.48) NR1H4MAPTMEN1MMP13KMT2A
SCHEMBL6193523 0.80 RAB9A (0.57) RAB9ANR1H4EGLN1NPC1POLB
SCHEMBL3033717 0.80 RAB9A (0.70) RAB9ANR1H4EGLN1NPC1POLB
SCHEMBL6194056 0.79 NR1H4 (0.68) NR1H4ALDH1A1HPGDMMP13EPHX2
SCHEMBL6192845 0.79 NR1H4 (0.60) RAB9ANR1H4POLBALDH1A1MEN1
SCHEMBL6193273 0.79 NR1H4 (0.60) NR1H4LMNAKMT2AEPHX2

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 RAB9A 976/4885NR1H4 1615/4885EGLN1 2984/4885

“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.