SCHEMBL6844771

SCHEMBL6844771

O=C(O)c1ccc(Cc2cnc3ccc(C(=O)OCc4ccc(Br)cc4)cc3c2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.40
PAX8 Q06710 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PIM1 P11309 1/20 0.37
LMNA P02545 1/20 0.36
XDH P47989 1/20 0.36

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
SCHEMBL6196320 0.92 LMNA (0.46) KDM4EKMT2AALDH1A1NPC1RAB9A
SCHEMBL6845415 0.90 PAX8 (0.42) RXRARXRBKDM4EKMT2AALDH1A1
SCHEMBL6842398 0.90 MAPT (0.41) KDM4EKMT2ANPC1RAB9AMAPT
SCHEMBL6842986 0.90 NR4A2 (0.44) RXRARXRBKMT2AALDH1A1MAPT
SCHEMBL6843455 0.90 RXRA (0.44) RXRARXRBKDM4EKMT2AALDH1A1
SCHEMBL6843378 0.90 NR4A2 (0.44) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL6193976 0.88 SMN1; SMN2 (0.48) RXRARXRBKMT2ANPC1RAB9A
SCHEMBL6838124 0.87 TP53 (0.38) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6838199 0.87 RXRA (0.46) RXRARXRBALDH1A1MAPT
SCHEMBL6838244 0.87 TDP1 (0.48) KMT2AALDH1A1RAB9AMAPTMEN1

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 RXRA 2850/4885RXRB 2848/4885KDM4E 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.