SCHEMBL6399951

SCHEMBL6399951

O=C(OCc1ccc(-c2ccc(O)cc2)cc1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.77
KMT2A Q03164 4/20 0.73
TDP1 Q9NUW8 4/20 0.73
MEN1 O00255 2/20 0.73
SLC6A2 P23975 1/20 0.73
SLC6A3 Q01959 1/20 0.73
RAB9A P51151 4/20 0.72
NPC1 O15118 1/20 0.72
ESR1 P03372 1/20 0.57
ESR2 Q92731 1/20 0.57
MAPT P10636 4/20 0.55
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54

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
SCHEMBL2238592 0.95 LMNA (0.86) LMNAKMT2ATDP1MEN1SLC6A2
SCHEMBL6393682 0.93 LMNA (0.90) LMNAKMT2ATDP1MEN1SLC6A2
SCHEMBL21056179 0.93 LMNA (0.83) LMNAKMT2ATDP1MEN1SLC6A2
SCHEMBL29163747 0.93 KMT2A (0.79) LMNAKMT2ATDP1MEN1SLC6A2
SCHEMBL11324430 0.90 KMT2A (0.73) LMNAKMT2ATDP1MEN1SLC6A2
SCHEMBL5085718 0.89 KMT2A (0.92) LMNAKMT2ATDP1MEN1SLC6A2
SCHEMBL27578 0.87 LMNA (1.00) LMNAKMT2ATDP1MEN1SLC6A2
SCHEMBL9537786 0.87 KMT2A (0.81) LMNAKMT2ATDP1MEN1SLC6A2
SCHEMBL18705328 0.86 RAB9A (0.76) LMNAKMT2ATDP1MEN1SLC6A2
SCHEMBL31354703 0.86 RAB9A (0.76) LMNAKMT2ATDP1MEN1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960681-B2 Guanidinomethyl cyclohexane carboxylic acid ester derivatives NAGASE CHEMTEX CORPORATION (JP) 2005-11-01 US 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-0989112-B1 Intermediates for the preparation of guanidinomethyl cyclohexane carboxylic acid ester derivatives NAGASE CHEMTEX CORP (JP) 2004-04-14 EP 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
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 LMNA 2895/4885KMT2A 2789/4885TDP1 4812/4885

“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.