SCHEMBL6845458

SCHEMBL6845458

COc1cccc(COC(=O)c2ccc3ccc(Cc4ccc(C(=O)O)cc4)c(O)c3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
PTGER4 P35408 1/20 0.45
PTGER2 P43116 1/20 0.45
TAS2R14 Q9NYV8 4/20 0.45
MMP13 P45452 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
MMP1 P03956 2/20 0.43
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP12 P39900 2/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
PRKCZ Q05513 1/20 0.40

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
SCHEMBL6844668 0.90 NPC1 (0.49) KDM4EALDH1A1MAPT
SCHEMBL6843224 0.88 LMNA (0.50) ALDH1A1MAPT
SCHEMBL6845395 0.87 THRB (0.44) THRBPTGER4PTGER2TAS2R14MMP13
SCHEMBL6193330 0.85 THRB (0.46) THRBPTGER4PTGER2TAS2R14MMP13
SCHEMBL6195651 0.85 THRB (0.47) THRBPTGER4TAS2R14MMP13MRGPRX4
SCHEMBL6843263 0.83 MMP13 (0.67) PTGER4MMP13MAPT
SCHEMBL6843418 0.83 SRD5A2 (0.45) MAPT
SCHEMBL6843390 0.83 MMP13 (0.40) MMP13
SCHEMBL6194064 0.83 THRB (0.48) THRBPTGER4PTGER2TAS2R14MMP13
SCHEMBL6845385 0.81 RXRA (0.45)

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 THRB 4700/4885PTGER4 119/4885PTGER2 112/4885

“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.