SCHEMBL6211545

SCHEMBL6211545

O=C(O)c1ccc(C(O)c2cc3cc(C(=O)OCc4ccc(OC(F)(F)F)cc4)ccc3cc2O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
AURKA O14965 1/20 0.39
TPX2 Q9ULW0 1/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 1/20 0.39
EPHX2 P34913 3/20 0.36
FAAH O00519 2/20 0.36
TRPM8 Q7Z2W7 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGER4 P35408 1/20 0.36
NLRP3 Q96P20 1/20 0.36
PPARA Q07869 1/20 0.36
SRD5A2 P31213 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GCGR P47871 1/20 0.35
GIPR P48546 1/20 0.35

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
SCHEMBL6845483 0.90 RXRA (0.43) TOP2ATOP2BMRGPRX4RXRARXRB
SCHEMBL6842433 0.89 MAPT (0.45) RXRARXRBMEN1KMT2APTGER4
SCHEMBL6212000 0.88 NPC1 (0.46) RXRARXRBMEN1KMT2AALDH1A1
SCHEMBL6195792 0.88 LMNA (0.47) MEN1KMT2ASRD5A2ALDH1A1NR4A2
SCHEMBL6843321 0.87 MAPT (0.40) RXRARXRBMEN1KMT2ASRD5A2
SCHEMBL6838146 0.87 NR4A2 (0.44) MRGPRX4RXRARXRBRXRGMEN1
SCHEMBL6843441 0.87 RXRA (0.44) RXRARXRBMEN1KMT2APPARA
SCHEMBL6843368 0.87 RXRA (0.44) RXRARXRBMEN1KMT2ASRD5A2
SCHEMBL6845498 0.85 MAPT (0.41) RXRARXRBMEN1KMT2ASRD5A2
SCHEMBL6838329 0.85 NR1H4 (0.50) EPHX2PTGER4PPARAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539163-A1 4-HYDROXYQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-06-15 EP disclosed
US-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-03-04 US disclosed
WO-2004014377-A1 4-HYDROXYQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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 TOP2A 854/4885TOP2B 872/4885MRGPRX4 3792/4885

“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.