SCHEMBL6843441

SCHEMBL6843441

O=C(O)c1ccc(C(O)c2cc3cc(C(=O)OCc4ccc(I)cc4)ccc3cc2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.44
RXRB P28702 3/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SRD5A2 P31213 1/20 0.35
TPMT P51580 1/20 0.35
PPARA Q07869 1/20 0.34
ROCK2 O75116 1/20 0.33
PDPK1 O15530 1/20 0.33

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
SCHEMBL6195792 0.91 LMNA (0.47) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL6843321 0.90 MAPT (0.40) RXRARXRBMEN1KMT2ANPC1
SCHEMBL6843368 0.90 RXRA (0.44) RXRARXRBMEN1KMT2ANPC1
SCHEMBL6838146 0.90 NR4A2 (0.44) RXRARXRBMEN1KMT2ANPC1
SCHEMBL6842433 0.90 MAPT (0.45) RXRARXRBMEN1KMT2ANPC1
SCHEMBL6212000 0.89 NPC1 (0.46) RXRARXRBMEN1KMT2ANPC1
SCHEMBL6845498 0.88 MAPT (0.41) RXRARXRBMEN1KMT2ANPC1
SCHEMBL6211545 0.87 TOP2A (0.40) RXRARXRBMEN1KMT2AALDH1A1
SCHEMBL6845483 0.87 RXRA (0.43) RXRARXRBMEN1KMT2AMAPT
SCHEMBL6843439 0.87 CA2 (0.48)

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 2848/4885MEN1 2172/4885

“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.