SCHEMBL1003702

SCHEMBL1003702

COc1cc[n+]([O-])c(C)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.37
CYP19A1 P11511 2/20 0.34
NQO2 P16083 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MAPK14 Q16539 1/20 0.32
NFE2L2 Q16236 1/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32

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
Acetic Acid SCHEMBL28354889 0.89 MAPT (0.40) KDM4EALDH1A1SMN1; SMN2CA9CA12
SCHEMBL3179374 0.89
SCHEMBL3189139 0.82
SCHEMBL2555525 0.81 MAPK14 (0.38) ACHECYP19A1NQO2KDM4EALDH1A1
SCHEMBL2991243 0.81 CA1 (0.33) ACHEKDM4EALDH1A1CA9CA12
SCHEMBL31651724 0.81 CA1 (0.33) ACHEKDM4EALDH1A1CA9CA12
SCHEMBL27277668 0.81 SMN1; SMN2 (0.41) KDM4EALDH1A1SMN1; SMN2MAPTTUBB4A
SCHEMBL8882946 0.78 ALDH1A1 (0.34) KDM4EALDH1A1MAPT
SCHEMBL317432 0.78 ALDH1A1 (0.36) KDM4EALDH1A1MAPK14
SCHEMBL191237 0.78 MAPK14 (0.33) ACHEKDM4EALDH1A1CA9CA12

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110746350-A Anhydridization synthesis method in pyridine hydrochloride production 安徽金禾实业股份有限公司 2020-02-04 CN claimed
CN-110746350-A Anhydridization synthesis method in pyridine hydrochloride production 安徽金禾实业股份有限公司 2020-02-04 CN disclosed
CN-110746350-A Anhydridization synthesis method in pyridine hydrochloride production 安徽金禾实业股份有限公司 2020-02-04 CN disclosed
CN-101875629-B Industrial preparation method of pantoprazole intermediate pyridine hydrochloride NANJING YUANHUA TECHNOLOGY CONSULTATION CO LTD 2013-03-06 CN disclosed
US-20120107248-A1 IMAGING GASTROINTESTINAL VOLUMES AND MOTILITY MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2012-05-03 US disclosed
US-20120107248-A1 IMAGING GASTROINTESTINAL VOLUMES AND MOTILITY MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2012-05-03 US disclosed
WO-2011005609-A2 IMAGING GASTROINTESTINAL VOLUMES AND MOTILITY MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2011-01-13 WO disclosed
WO-2011005609-A2 IMAGING GASTROINTESTINAL VOLUMES AND MOTILITY MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2011-01-13 WO disclosed
CN-101875629-A Industrial preparation method of pantoprazole intermediate pyridine hydrochloride NANJING YUANHUA TECHNOLOGY CONSULTATION CO LTD 2010-11-03 CN disclosed
CN-1029973-C Process for the preparation of substituted thienoimidazole derivatives HOECHST AG (DE) 1995-10-11 CN disclosed
CN-1011969-B Benzimidazole derivatives and their preparation BYK GULDEN LOMBERG CHEM FAB (DE) 1991-03-13 CN disclosed
CN-1032340-A The Thienoimidazole derivatives that replaces, its preparation method and contain the pharmaceutical preparation of this derivative and they are as the purposes of gastric acid secretion inhibitor HOECHST AG (DE) 1989-04-12 CN disclosed
US-4758579-A e.g. pantoprazole or pantoprazole sodium BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1988-07-19 US disclosed
US-4686230-A Picoline derivative useful as gastric acid secretion inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-08-11 US disclosed
CN-85104684-A The dialkoxy pyridine, their preparation method, purposes and contain their medicine 1986-12-31 CN disclosed
US-4523015-A Process and nitroaminopyrimidone intermediates for histamine H2 -antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-06-11 US disclosed
EP-0004793-B1 2-NITRO AMINOPYRIMIDONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE TO PREPARE 2-AMINOPYRIMIDONE DERIVATIVES WHICH HAVE HISTAMINE H2-ANTAGONIST ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-12-30 EP disclosed
US-4227000-A Intermediates in the process for making histamine antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-07 US disclosed
EP-0004793-A2 2-nitro aminopyrimidone derivatives, a process for their preparation and their use to prepare 2-aminopyrimidone derivatives which have histamine H2-antagonist activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-10-17 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-20120107248-A1 IMAGING GASTROINTESTINAL VOLUMES AND MOTILITY SLC10A2, KCNN3, KCNN2 ACHE 110/4885CYP19A1 4219/4885NQO2 3015/4885

“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.