SCHEMBL10175713

SCHEMBL10175713

CC(Oc1ccccc1)C(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.50
PPARA Q07869 7/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
GAA P10253 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
PKM P14618 1/20 0.50
MAPT P10636 1/20 0.48
ELANE P08246 1/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 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
SCHEMBL11646451 0.95 PPARA (0.53) PPARGPPARACYP1A2CYP2C9CYP2C19
SCHEMBL23356457 0.93 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19TDP1MAPT
SCHEMBL16672919 0.90 GAA (0.55) CYP1A2CYP2C9CYP2C19GAATDP1
SCHEMBL9363151 0.89 CYP1A2 (0.50) PPARGPPARACYP1A2CYP2C9CYP2C19
SCHEMBL11511982 0.88 LMNA (0.63) PPARGPPARALMNAL3MBTL1MEN1
SCHEMBL20045401 0.86 TDP1 (0.55) PPARGPPARACYP1A2CYP2C9CYP2C19
SCHEMBL3273581 0.85 GAA (0.51) CYP1A2CYP2C9CYP2C19GAATDP1
SCHEMBL27799921 0.85 CYP1A2 (0.69) PPARGPPARACYP1A2CYP2C9CYP2C19
SCHEMBL27660881 0.82 L3MBTL1 (0.44) MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL11609867 0.81 CYP1A2 (0.55) PPARGPPARACYP1A2CYP2C9CYP2C19

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 PPARG 2568/4885PPARA 2767/4885CYP1A2 183/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 PPARG 2568/4885PPARA 2767/4885CYP1A2 183/4885

“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.