SCHEMBL2113045

SCHEMBL2113045

COC(=O)c1ccccc1Oc1ccc(OC)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HTT P42858 3/20 0.54
MAPT P10636 7/20 0.53
HSP90AA1 P07900 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 4/20 0.52
GAA P10253 4/20 0.52
GLA P06280 1/20 0.52
ABCB1 P08183 1/20 0.51
ABCC1 P33527 1/20 0.51
ALDH1A1 P00352 6/20 0.50
HPGD P15428 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49

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
SCHEMBL2441955 0.82 SLC6A3 (0.65) MEN1KMT2AHTTMAPTKDM4E
SCHEMBL7146149 0.82 ALDH1A1 (0.73) HTTMAPTHSP90AA1NPSR1KDM4E
Methyl 2,4-Dimethoxybenzoate SCHEMBL645462 0.81 KMT2A (0.64) MEN1KMT2AMAPTKDM4EHSD17B10
SCHEMBL24515870 0.80 KDM4E (0.63) MEN1KMT2AHTTMAPTHSP90AA1
SCHEMBL5739338 0.80 ALDH1A1 (0.51) MEN1KMT2AHTTMAPTNPSR1
SCHEMBL1338503 0.80 ALDH1A1 (0.51) MEN1KMT2AHTTMAPTNPSR1
SCHEMBL2875242 0.79 KDM4E (0.66) MEN1KMT2AHTTMAPTNPSR1
Methyl 2-Methoxybenzoate SCHEMBL29702077 0.79 TSHR (0.69) KMT2AHTTMAPTHSP90AA1NPSR1
Methyl 2-Methoxybenzoate SCHEMBL196037 0.79 TSHR (0.69) KMT2AHTTMAPTHSP90AA1NPSR1
Methyl 2,5-Dimethoxybenzoate SCHEMBL2091289 0.77 MAPT (0.66) MEN1KMT2AHTTMAPTNPSR1

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 4 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
CN-101687886-A Seven-membered ring compound and pharmaceutical application thereof in preventing and treating diabetes and metabolic syndrome SHANGHAI INST MATERIA MEDICA 2010-03-31 CN 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 4629/4885HTT 2894/4885

“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.