SCHEMBL7765145

SCHEMBL7765145

c1ccc(-c2ccc(CC3CO3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.48
TAAR1 Q96RJ0 1/20 0.45
CHRM2 P08172 1/20 0.44
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL30300699 1.00 MGLL (0.48) MGLLTAAR1CHRM2MEN1RAB9A
SCHEMBL14063010 0.91 MGLL (0.38) MGLL
SCHEMBL708540 0.91 MGLL (0.38) MGLL
SCHEMBL2186411 0.87 SLC6A2 (0.50) TAAR1MEN1KMT2ATDP1
SCHEMBL51254 0.87 SLC6A2 (0.50) TAAR1MEN1KMT2ATDP1
SCHEMBL873444 0.87 SLC6A2 (0.50) TAAR1MEN1KMT2ATDP1
Water SCHEMBL27572757 0.85 SLC6A2 (0.48) TAAR1MEN1KMT2ATDP1
Methane SCHEMBL28820455 0.85 SLC6A2 (0.48) TAAR1MEN1KMT2ATDP1
SCHEMBL131333 0.84 TDP1 (0.38) MGLLMEN1KMT2ATDP1
Ethylene SCHEMBL28205448 0.83 SLC6A2 (0.47) TAAR1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093287-B2 Inhibitors of matrix metalloproteinases UNIVERSITY OF NOTRE DAME DU LAC (US) 2012-01-10 US disclosed
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES NOTRE DAME UNIVERSITY (US) 2011-09-15 US disclosed
US-7928127-B2 Inhibitors of matrix metallaproteinases NOTRE DAME UNIVERSITY (US) 2011-04-19 US disclosed
US-20090005420-A1 Inhibitors of Matrix Metallaproteinases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-01 US disclosed
EP-1114029-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-07-11 EP disclosed
WO-2000015614-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-03-23 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 (2 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-20090005420-A1 Inhibitors of Matrix Metallaproteinases MMP9, MMP1, MMP2 MGLL 3217/4885TAAR1 4531/4885CHRM2 4398/4885
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES MMP9, MMP1, MMP2 MGLL 3291/4885TAAR1 4745/4885CHRM2 4273/4885

“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.