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Sugi Predict / Compounds / SCHEMBL2114318

SCHEMBL2114318

SCHEMBL2114318

COC(=O)c1cc(OC)c(C)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.61
▸ RXFP1 Q9HBX9 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ CNR2 P34972 2/20 0.56
▸ MAPT P10636 1/20 0.55
▸ CA1 P00915 2/20 0.54
▸ CA2 P00918 2/20 0.54
▸ CA12 O43570 1/20 0.54
▸ CA7 P43166 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ CA14 Q9ULX7 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ LMNA P02545 3/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ POLB P06746 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ XDH P47989 1/20 0.52

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
SCHEMBL18969524 0.90 KMT2A (0.51) KMT2ARXFP1MEN1CNR2MAPT
SCHEMBL22026533 0.88 KMT2A (0.50) KMT2ARXFP1MEN1CNR2MAPT
SCHEMBL6066809 0.88 CNR2 (0.62) KMT2ARXFP1MEN1CNR2MAPT
SCHEMBL20763257 0.88 KMT2A (0.54) KMT2ARXFP1MEN1CNR2MAPT
SCHEMBL17184635 0.87 LMNA (0.50) KMT2ARXFP1MEN1CNR2MAPT
SCHEMBL8040178 0.87 KDM4E (0.51) KMT2ARXFP1MEN1CNR2MAPT
SCHEMBL13696427 0.87 CNR2 (0.49) KMT2ARXFP1MEN1CNR2MAPT
SCHEMBL16069743 0.87 CNR2 (0.53) KMT2ARXFP1MEN1CNR2MAPT
SCHEMBL31238916 0.84 CNR2 (0.62) KMT2AMEN1CNR2MAPTCA1
SCHEMBL28473312 0.83 MEN1 (0.53) KMT2ARXFP1MEN1CNR2MAPT

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112851468-A Preparation method of 3, 5-dimethoxy-4-methylbenzoic acid 上海睿腾医药科技有限公司 2021-05-28 — — CN claimed
CN-112851468-A Preparation method of 3, 5-dimethoxy-4-methylbenzoic acid 上海睿腾医药科技有限公司 2021-05-28 — — CN disclosed
CN-112851468-A Preparation method of 3, 5-dimethoxy-4-methylbenzoic acid 上海睿腾医药科技有限公司 2021-05-28 — — CN disclosed
US-10787573-B2 Multimeric protected fluorescent reagents PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2020-09-29 — — 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-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-1193270-A2 Pyrrolobenzodiazepines Spirogen Limited (GB) 2002-04-03 — — EP disclosed
US-6265575-B1 THROMBIN INHIBITORS ELI LILLY AND COMPANY 2001-07-24 — — US disclosed
EP-1109812-A2 PYRROLOBENZODIAZEPINES Spirogen Limited (GB) 2001-06-27 — — EP disclosed
US-6251921-B1 ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL ELI LILLY AND COMPANY 2001-06-26 — — US disclosed
WO-2000012508-A2 PYRROLBENZODIAZEPINES SPIROGEN LIMITED (GB) 2000-03-09 — — WO disclosed
US-6025382-A Antithrombotic diamines ELI LILLY AND COMPANY (US) 2000-02-15 — — US disclosed
US-5922889-A REACTING 3,7-DIMETHYL-6,8-DIMETHOXYISOCHROMAN WITH SODIUM ETHYL THIOLATE OR SODIUM HYDRIDE TO PRODUCE 3,7-DIMETHYL-6-HYDROXY-8-METHOXYISOCHROMAN; POSSESS PHYTOTOXIC ACTIVITY USED AS A BIODEGRADABLE HERBICIDE THE UNITED STATES OD AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1999-07-13 — — US disclosed
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 — — EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 — — EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 — — WO 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 KMT2A 4629/4885RXFP1 1340/4885MEN1 730/4885

“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.