SCHEMBL3885571

SCHEMBL3885571

Cc1ccc(COC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.74
MEN1 O00255 1/20 0.74
LMNA P02545 3/20 0.63
MAPT P10636 4/20 0.62
NPC1 O15118 4/20 0.62
ALDH1A1 P00352 4/20 0.62
RAB9A P51151 3/20 0.62
ESR1 P03372 3/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
ESR2 Q92731 1/20 0.59
CA14 Q9ULX7 1/20 0.59
KDM4E B2RXH2 3/20 0.55
TSHR P16473 3/20 0.51
SLC6A2 P23975 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
CHRM1 P11229 1/20 0.51

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
SCHEMBL830366 0.95 KMT2A (0.82) KMT2AMEN1LMNAMAPTNPC1
SCHEMBL13932521 0.90 KMT2A (0.71) KMT2AMEN1LMNAMAPTNPC1
SCHEMBL6653763 0.90 KMT2A (0.71) KMT2AMEN1LMNAMAPTNPC1
SCHEMBL5433051 0.89 MAPT (0.65) KMT2AMEN1LMNAMAPTNPC1
SCHEMBL5057224 0.86 KMT2A (0.54) KMT2AMEN1LMNAMAPTNPC1
SCHEMBL6393345 0.86 NPC1 (0.68) KMT2AMEN1LMNAMAPTNPC1
SCHEMBL29245494 0.86 KMT2A (1.00) KMT2AMEN1LMNAMAPTNPC1
SCHEMBL1549061 0.86 KMT2A (1.00) KMT2AMEN1LMNAMAPTNPC1
SCHEMBL6399902 0.84 MEN1 (0.70) KMT2AMEN1LMNAMAPTNPC1
Hydrogen Sulfide SCHEMBL31314884 0.84 KMT2A (0.96) KMT2AMEN1LMNAMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831190-B1 Acts effectively in stomach, the antibacterial activity becomes weak as the compounds moves from duodenum to small intestines; do not have activity against esylhiacori, staphylococcus aureus, methacycline resistant bacterium TEIKOKU CHEMICAL INDUSTRIES CO., LTD. (JP) 2004-12-14 US claimed
EP-0989112-B1 Intermediates for the preparation of guanidinomethyl cyclohexane carboxylic acid ester derivatives NAGASE CHEMTEX CORP (JP) 2004-04-14 EP claimed
EP-1430025-B1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING BACTERIAL INFECTION ZHU DEXU (CN) 2009-01-14 EP disclosed
EP-0870500-B1 ANTI-HELICOBACTER PYLORI AGENT NAGASE CHEMTEX CORP (JP) 2008-02-20 EP disclosed
US-6960681-B2 Guanidinomethyl cyclohexane carboxylic acid ester derivatives NAGASE CHEMTEX CORPORATION (JP) 2005-11-01 US disclosed
EP-1430025-A4 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING BACTERIAL INFECTION ZHU DEXU (CN) 2005-04-27 EP disclosed
US-20050075402-A1 Guanidinomethyl cyclohexane carboxylic acid ester derivatives TEIKOKU CHEMICAL INDUSTRIES CO., LTD. 2005-04-07 US disclosed
US-6831190-B1 Acts effectively in stomach, the antibacterial activity becomes weak as the compounds moves from duodenum to small intestines; do not have activity against esylhiacori, staphylococcus aureus, methacycline resistant bacterium TEIKOKU CHEMICAL INDUSTRIES CO., LTD. (JP) 2004-12-14 US disclosed
EP-1449828-A2 Guanidinomethyl cyclohexane carboxylic acid ester derivatives Nagase ChemteX Corporation (JP) 2004-08-25 EP disclosed
EP-1430025-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING BACTERIAL INFECTION Zhu, Dexu (CN) 2004-06-23 EP disclosed
US-6734212-B2 ADMINISTERING AGENT THAT SELECTIVELY INHIBITS BACTERIAL DNA REPLICATION INITIATION; FOR DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH E. COLI OR H. PYLORI INFECTION SHANGHAI EAST BEST BIOPHARMACEUTICAL (CN) 2004-05-11 US disclosed
WO-2003029201-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING BACTERIAL INFECTION ZHU DEXU (CN) 2003-04-10 WO disclosed
US-20020123508-A1 4-(4-(4-methylbenzyloxycarbonyl) phanyl)phenyl trans-4-guanidinomethylcyclohexanecarboxylate or acid addition salt thereof and cyclodextrin; use treating ulcers for example NAGASE CHEMTEX CORPORATION (JP) 2002-09-05 US disclosed
US-6444703-B1 4-(4-(4-METHYLBENZYLOXYCARBONYL) PHANYL)PHENYL TRANS-4-GUANIDINOMETHYLCYCLOHEXANECARBOXYLATE OR ACID ADDITION SALT THEREOF AND CYCLODEXTRIN; USE TREATING ULCERS FOR EXAMPLE TEIKOKU CHEMICAL INDUSTRIES CO., LTD. (JP) 2002-09-03 US disclosed
US-6284791-B1 USEFUL AS AN ANTI-MICROBIAL AGAINST HELICOBACTER PYLORI TEIKOKU CHEMICAL INDUSTRIES CO., LTD. (JP) 2001-09-04 US disclosed
EP-0775692-B1 GUANIDINOMETHYL CYCLOHEXANE CARBOXYLIC ESTER DERIVATIVE TEIKOKU CHEM IND CO LTD (JP) 2000-12-06 EP disclosed
EP-0989112-A2 Intermediates for the preparation of guanidinomethyl cyclohexane carboxylic acid ester derivatives TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 2000-03-29 EP disclosed
CN-1205632-A Anti-helicobacter pylori agent TEIKOKU CHEMICAL IND CO LTD (JP) 1999-01-20 CN disclosed
EP-0870500-A1 ANTI-HELICOBACTER PYLORI AGENT TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 1998-10-14 EP disclosed
EP-0775692-A1 GUANIDINOMETHYL CYCLOHEXANE CARBOXYLIC ESTER DERIVATIVE TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 1997-05-28 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-20050075402-A1 Guanidinomethyl cyclohexane carboxylic acid ester derivatives GCK, ADCY9, ADCY7 KMT2A 2789/4885MEN1 4345/4885LMNA 2895/4885

“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.