SCHEMBL380244

SCHEMBL380244

CCOC(=O)C(Oc1cccc2ccccc12)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
CDC25B P30305 2/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
PGR P06401 1/20 0.40
GAA P10253 1/20 0.40
PTGS1 P23219 1/20 0.40
MAPK1 P28482 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
SCHEMBL380312 0.82 MEN1 (0.51) L3MBTL1KMT2AMEN1RAB9AALDH1A1
SCHEMBL10390030 0.80 TSHR (0.51) KMT2AMEN1TSHRALDH1A1HPGD
SCHEMBL17857944 0.79 ALDH1A1 (0.39) L3MBTL1KMT2AMEN1RAB9ATSHR
SCHEMBL10389728 0.77 PPARG (0.49) TSHRALDH1A1HPGDCDC25BKDM4E
SCHEMBL6707311 0.76 TSHR (0.47) KMT2AMEN1TSHRALDH1A1HPGD
SCHEMBL17847057 0.75 L3MBTL1 (0.46) L3MBTL1KMT2AMEN1RAB9ATSHR
SCHEMBL17847061 0.75 L3MBTL1 (0.46) L3MBTL1KMT2AMEN1RAB9ATSHR
SCHEMBL9540128 0.74 ALDH1A1 (0.48) L3MBTL1KMT2AMEN1RAB9ATSHR
SCHEMBL27493266 0.73 ALDH1A1 (0.53) L3MBTL1KMT2AMEN1RAB9ATSHR
SCHEMBL6451825 0.72 TSHR (0.46) L3MBTL1TSHRALDH1A1HPGDCDC25B

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-10125116-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2018-11-13 US disclosed
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
EP-2408753-A2 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS Brandeis University (US) 2012-01-25 EP disclosed
WO-2010108187-A2 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS BRANDEIS UNIVERSITY (US) 2010-09-23 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 (3 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 2101/4885KMT2A 3016/4885MEN1 3561/4885
US-10125116-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections IMPDH1, IMPDH2, IMPA1 L3MBTL1 2101/4885KMT2A 3016/4885MEN1 3561/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 L3MBTL1 2101/4885KMT2A 3016/4885MEN1 3561/4885

“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.