SCHEMBL2113567

SCHEMBL2113567

COc1cc(C(=O)O)c2c(c1C)OC(=O)c1c(C)cc(O)c(C=NNC(=O)c3ccco3)c1O2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.56
MAPT P10636 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 2/20 0.56
MEN1 O00255 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CYP1A2 P05177 2/20 0.43
GAA P10253 2/20 0.42
GFER P55789 1/20 0.42
SERPINE1 P05121 4/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CYP2C9 P11712 1/20 0.39

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
SCHEMBL2114548 0.86 MEN1 (0.55) KDM4EMAPTKMT2AALDH1A1TDP1
SCHEMBL2113902 0.86 MAPT (0.54) KDM4EMAPTKMT2AALDH1A1TDP1
SCHEMBL2114073 0.85 KMT2A (0.53) KDM4EMAPTKMT2AALDH1A1TDP1
SCHEMBL2113128 0.84 MEN1 (0.60) KDM4EMAPTKMT2AALDH1A1TDP1
SCHEMBL2112673 0.83 MEN1 (0.67) KDM4EMAPTKMT2AALDH1A1TDP1
SCHEMBL2112670 0.83 MEN1 (0.67) KDM4EMAPTKMT2AALDH1A1TDP1
SCHEMBL2114181 0.81 ALDH1A1 (0.54) KDM4EMAPTKMT2AALDH1A1TDP1
SCHEMBL2114176 0.81 ALDH1A1 (0.54) KDM4EMAPTKMT2AALDH1A1TDP1
SCHEMBL2111333 0.80 MAPT (0.55) KDM4EMAPTKMT2AALDH1A1TDP1
SCHEMBL2111335 0.80 MAPT (0.55) KDM4EMAPTKMT2AALDH1A1TDP1

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-8158623-B2 Heptacyclic compounds and the pharmaceutical uses thereof for preventing and treating diabetes and metabolic syndrome SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2012-04-17 US disclosed
US-20100173905-A1 HEPTACYCLIC COMPOUNDS AND THE PHARMACEUTICAL USES THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLIC SYNDROME SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCE 2010-07-08 US disclosed
EP-2199295-A1 COMPOUNDS WITH 7-MEMBER CYCLE AND THE PHARMACEUTICAL USE THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLISM SYNDROME Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2010-06-23 EP 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-20100173905-A1 HEPTACYCLIC COMPOUNDS AND THE PHARMACEUTICAL USES THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLIC SYNDROME GPR119, CYP11B1, HSD11B1 KDM4E 4346/4885MAPT 4246/4885KMT2A 4629/4885

“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.