SCHEMBL6838199

SCHEMBL6838199

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
SRD5A2 P31213 2/20 0.45
MAOB P27338 3/20 0.43
ALKBH5 Q6P6C2 2/20 0.40
NR4A2 P43354 1/20 0.40
MAPT P10636 1/20 0.39
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
NTRK1 P04629 1/20 0.37
NTRK2 Q16620 1/20 0.37
MMP1 P03956 1/20 0.37
MMP12 P39900 1/20 0.37

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
SCHEMBL6843378 0.89 NR4A2 (0.44) NR4A2MAPTKDM5AKDM4C
SCHEMBL6842398 0.89 MAPT (0.41) MAPT
SCHEMBL6196320 0.89 LMNA (0.46) NR4A2MAPTALDH1A1
SCHEMBL6845415 0.87 PAX8 (0.42) RXRARXRBRXRGSRD5A2MAOB
SCHEMBL6842986 0.87 NR4A2 (0.44) RXRARXRBRXRGALKBH5NR4A2
SCHEMBL6844771 0.87 RXRA (0.44) RXRARXRBMAPTALDH1A1
SCHEMBL6843455 0.87 RXRA (0.44) RXRARXRBMAPTALDH1A1
SCHEMBL6193976 0.85 SMN1; SMN2 (0.48) RXRARXRBMAOBMAPT
SCHEMBL6838124 0.85 TP53 (0.38) MAPTALDH1A1
SCHEMBL6838244 0.85 TDP1 (0.48) MAPTKDM5AKDM4CALDH1A1

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 2848/4885RXRG 2746/4885

“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.