SCHEMBL2113203

SCHEMBL2113203

COC(=O)c1cc(OC)c(C)c(OC)c1Br

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
POLB P06746 2/20 0.53
HSD17B10 Q99714 2/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
PTPN1 P18031 1/20 0.46
MAPT P10636 2/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 3/20 0.43
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL21635979 0.86 KDM4E (0.65) KDM4EPOLBHSD17B10USP2ALDH1A1
SCHEMBL28447033 0.85 KDM4E (0.42) KDM4EPOLBHSD17B10USP2ALDH1A1
SCHEMBL27780036 0.85 LCK (0.56) KDM4EPOLBHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL3979015 0.83 KDM4E (0.57) KDM4EPOLBHSD17B10USP2ALDH1A1
SCHEMBL5658273 0.80 KDM4E (0.57) KDM4EPOLBHSD17B10USP2ALDH1A1
SCHEMBL644549 0.79 KDM4E (0.56) KDM4EPOLBHSD17B10USP2ALDH1A1
SCHEMBL14390487 0.79 KDM4E (0.55) KDM4EPOLBHSD17B10USP2ALDH1A1
Hydrochloric Acid SCHEMBL28974048 0.79 KDM4E (0.55) KDM4EPOLBHSD17B10USP2ALDH1A1
SCHEMBL15526194 0.79 POLB (0.55) KDM4EPOLBHSD17B10USP2ALDH1A1
SCHEMBL4300466 0.78 KDM4E (0.42) KDM4EPOLBHSD17B10USP2ALDH1A1

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 8 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-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-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
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
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 KDM4E 4346/4885POLB 4766/4885HSD17B10 53/4885

“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.