SCHEMBL10175715

SCHEMBL10175715

CC(Oc1ccccc1)C(=O)OCc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
LMNA P02545 1/20 0.57
PPARG P37231 8/20 0.50
PPARA Q07869 8/20 0.50
EPHX2 P34913 3/20 0.50
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 1/20 0.47
GHSR Q92847 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL11512987 0.91 LMNA (0.72) L3MBTL1LMNAPPARGPPARAEPHX2
SCHEMBL16673428 0.89 LMNA (0.68) L3MBTL1LMNAALDH1A1CYP1A2CYP2C9
SCHEMBL11512616 0.87 LMNA (0.63) L3MBTL1LMNAEPHX2
SCHEMBL11512218 0.85 LMNA (0.64) L3MBTL1LMNAPPARGPPARAEPHX2
SCHEMBL11511982 0.84 LMNA (0.63) L3MBTL1LMNAPPARGPPARANPSR1
SCHEMBL11509295 0.81 LMNA (0.59) L3MBTL1LMNAPPARGPPARAEPHX2
SCHEMBL10175713 0.80 PPARG (0.50) L3MBTL1LMNAPPARGPPARAALDH1A1
SCHEMBL11511110 0.80 L3MBTL1 (0.61) L3MBTL1LMNAEPHX2
SCHEMBL3526995 0.79 LMNA (0.60) L3MBTL1LMNAALDH1A1CYP1A2CYP2C9
SCHEMBL11511647 0.79 LMNA (0.57) L3MBTL1LMNAEPHX2

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
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-09 US disclosed
US-8969342-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2015-03-03 US disclosed
US-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections University of Georgia Foundation, Inc. (US) 2012-04-26 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 (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-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 L3MBTL1 2101/4885LMNA 3978/4885PPARG 2568/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 L3MBTL1 2101/4885LMNA 3978/4885PPARG 2568/4885

“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.