SCHEMBL6194064

SCHEMBL6194064

COc1cccc(COC(=O)c2ccc3ccc(Cc4ccc(C(=O)O)cc4)cc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
MMP13 P45452 1/20 0.48
MRGPRX4 Q96LA9 2/20 0.48
MMP1 P03956 2/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP12 P39900 2/20 0.47
TAS2R14 Q9NYV8 4/20 0.46
REN P00797 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER2 P43116 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44

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
SCHEMBL6194502 0.89 RAB9A (0.54) MRGPRX4MMP1MMP9TAS2R14KDM4E
SCHEMBL6193330 0.88 THRB (0.46) THRBMMP13MRGPRX4MMP1MMP2
SCHEMBL6195895 0.86 KMT2A (0.53) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL6195359 0.84 THRB (0.46) THRBMMP13MRGPRX4MMP1MMP2
SCHEMBL6845458 0.83 THRB (0.45) THRBMMP13MRGPRX4MMP1MMP2
SCHEMBL6195092 0.82 MMP13 (0.74) MMP13PTGER4ALDH1A1RAB9AMEN1
SCHEMBL6193636 0.82 SRD5A2 (0.54) ALDH1A1MAPTMAOBSMN1; SMN2RAB9A
SCHEMBL6845395 0.81 THRB (0.44) THRBMMP13MRGPRX4MMP1MMP2
SCHEMBL6843351 0.81 GRM2 (0.41) MMP13MAOBSMN1; SMN2PKMRAB9A
SCHEMBL6193200 0.80 KDM4E (0.53) MMP1MMP2MMP9MMP12KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539163-A1 4-HYDROXYQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-06-15 EP disclosed
US-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-03-04 US disclosed
WO-2004014377-A1 4-HYDROXYQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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 4700/4885MMP13 3/4885MRGPRX4 3792/4885

“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.