SCHEMBL6845496

SCHEMBL6845496

O=C(O)c1ccc(Cc2c(O)cc3ccc(C(=O)OCc4ccncc4)cc3c2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CNR2 P34972 1/20 0.41
MEN1 O00255 1/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
LMNA P02545 3/20 0.37
NAMPT P43490 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 2/20 0.34
CYP17A1 P05093 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
TBXAS1 P24557 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL6195785 0.90 LMNA (0.48) MAPTKMT2AKDM4EMEN1NPC1
SCHEMBL6843440 0.88 RXRA (0.43) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL6843367 0.88 RXRA (0.43) MAPTKMT2AKDM4EMEN1NPC1
SCHEMBL6843319 0.88 SRD5A2 (0.43) MAPTKMT2AKDM4EMEN1NPC1
SCHEMBL6842430 0.88 MAPT (0.44) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL6838144 0.88 NR4A2 (0.43) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL6843398 0.88 KMT2A (0.46) KMT2AKDM4ELMNATDP1ALDH1A1
SCHEMBL6845480 0.88 SRD5A2 (0.46) KMT2AMEN1ALDH1A1
SCHEMBL6211990 0.87 PTPN5 (0.47) MAPTKMT2AKDM4EMEN1NPC1
SCHEMBL6843437 0.86 CA1 (0.48) CYP2C19

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 MAPT 1745/4885KMT2A 4149/4885KDM4E 1987/4885

“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.