SCHEMBL2114473

SCHEMBL2114473

CCCCOC(=O)c1c(C)c2c(c(COCC)c1OCCCC)OC(=O)c1c(C)cc(OCCCC)c(C=O)c1O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
TDP1 Q9NUW8 4/20 0.43
CYP3A4 P08684 4/20 0.43
HPGD P15428 3/20 0.43
THRB P10828 3/20 0.43
RECQL P46063 3/20 0.43
USP2 O75604 3/20 0.43
ALOX12 P18054 2/20 0.43
ALOX15 P16050 1/20 0.43
CDK2 P24941 1/20 0.43
APEX1 P27695 1/20 0.43
PHPT1 Q9NRX4 2/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 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
SCHEMBL2113880 0.98 ALDH1A1 (0.43) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2112927 0.94 MAPT (0.44) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2112411 0.89 MEN1 (0.46) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2112791 0.84 MEN1 (0.60) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2114529 0.81 KDM4E (0.59) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2112836 0.81 MEN1 (0.49) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2112251 0.78 ALDH1A1 (0.62) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2114469 0.78 ALDH1A1 (0.48) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2112192 0.78 MEN1 (0.51) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2115715 0.76 ALDH1A1 (0.66) MAPTKDM4EALDH1A1MEN1KMT2A

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 MAPT 4246/4885KDM4E 4346/4885ALDH1A1 1503/4885

“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.