SCHEMBL6844736

SCHEMBL6844736

O=C(O)c1ccc(Cc2ccc3ccc(C(=O)OCc4ccc(Cl)cc4)cc3c2O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.45
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
MRGPRX4 Q96LA9 2/20 0.42
ALOX5 P09917 1/20 0.41
PIM1 P11309 1/20 0.40
GAA P10253 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL6843224 0.91 LMNA (0.50) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL6844631 0.89 RXRA (0.45) ALDH1A1L3MBTL1KMT2AMEN1MAPT
SCHEMBL6843050 0.89 MAPT (0.46) NR4A2KMT2AMEN1MAPTPIM1
SCHEMBL6843418 0.89 SRD5A2 (0.45) KMT2AMEN1MAPTPIM1NPC1
SCHEMBL6845385 0.89 RXRA (0.45) KMT2AMEN1PIM1RXRARXRB
SCHEMBL7104741 0.88 KMT2A (0.43) L3MBTL1KMT2AMEN1MAPTPIM1
SCHEMBL6844668 0.87 NPC1 (0.49) ALDH1A1KMT2AMEN1MAPTRXRA
SCHEMBL6838251 0.86 ALDH1A1 (0.52) ALDH1A1L3MBTL1KMT2AMEN1MAPT
SCHEMBL6845360 0.86 MEN1 (0.39) ALDH1A1KMT2AMEN1MAPTPIM1
SCHEMBL6843022 0.86 SRD5A2 (0.48) NR4A2ALDH1A1KMT2AMEN1PIM1

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 NR4A2 2222/4885NPSR1 1783/4885ALDH1A1 1588/4885

“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.