SCHEMBL2113099

SCHEMBL2113099

CCOCc1c(O)c(C(=O)O)c(C)c2c1OC(=O)c1c(C)cc(O)c(CNCCN3CCOCC3)c1O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
USP2 O75604 1/20 0.48
CYP3A4 P08684 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CDK2 P24941 1/20 0.48
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CD274 Q9NZQ7 3/20 0.37
TSHR P16473 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SERPINE1 P05121 4/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL2114457 0.94 KMT2A (0.49) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2113058 0.93 KMT2A (0.49) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2113609 0.89 MAPT (0.50) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2112499 0.83 MEN1 (0.53) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2114716 0.83 KDM4E (0.53) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2114579 0.82 KDM4E (0.51) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2112476 0.81 MEN1 (0.54) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2111217 0.81 LMNA (0.55) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2111720 0.80 ALDH1A1 (0.49) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2111359 0.80 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4EMAPT

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 MEN1 730/4885KMT2A 4629/4885ALDH1A1 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.