SCHEMBL6845480

SCHEMBL6845480

O=C(O)c1ccc(Cc2c(O)cc3ccc(C(=O)OCc4ccc(C(F)(F)F)cc4)cc3c2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
ALDH1A1 P00352 1/20 0.39
NR4A2 P43354 1/20 0.39
MMP12 P39900 2/20 0.38
MMP1 P03956 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALKBH5 Q6P6C2 2/20 0.38
VKORC1 Q9BQB6 1/20 0.38
SLC6A2 P23975 1/20 0.37
P2RY14 Q15391 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER2 P43116 1/20 0.37
IGFBP3 P17936 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
SCHEMBL6211543 0.89 MRGPRX4 (0.40) RXRARXRBRXRGMEN1KMT2A
SCHEMBL6842430 0.89 MAPT (0.44) ALDH1A1NR4A2MMP12MMP1MEN1
SCHEMBL6195785 0.89 LMNA (0.48) ALDH1A1MEN1KMT2ASLC6A2
SCHEMBL6845496 0.88 MAPT (0.42) ALDH1A1MEN1KMT2A
SCHEMBL6843440 0.87 RXRA (0.43) RXRARXRBALDH1A1MEN1KMT2A
SCHEMBL6843367 0.87 RXRA (0.43) RXRARXRBALDH1A1MMP1MEN1
SCHEMBL6843319 0.87 SRD5A2 (0.43) SRD5A2ALDH1A1MEN1KMT2A
SCHEMBL6838144 0.87 NR4A2 (0.43) RXRARXRBRXRGALDH1A1NR4A2
SCHEMBL6843022 0.86 SRD5A2 (0.48) SRD5A2RXRARXRBRXRGALDH1A1
SCHEMBL6211990 0.85 PTPN5 (0.47) RXRARXRBALDH1A1MAOBMEN1

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 SRD5A2 254/4885RXRA 2850/4885RXRB 2848/4885

“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.