SCHEMBL6399400

SCHEMBL6399400

Cc1ccc(COC(=O)c2ccc(-c3ccc(O)c(Br)c3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 7/20 0.50
KDM4E B2RXH2 4/20 0.47
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 2/20 0.47
ESR1 P03372 1/20 0.47
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.44
ALKBH5 Q6P6C2 1/20 0.43
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL30016425 0.84 CA1 (0.59) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL345875 0.84 CA1 (0.59) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL3885571 0.83 KMT2A (0.74) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL13932521 0.80 KMT2A (0.71) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL6653763 0.80 KMT2A (0.71) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL9750441 0.79 CA12 (0.66) KMT2AMEN1MAPTNPC1ALDH1A1
SCHEMBL5433051 0.79 MAPT (0.65) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL830366 0.79 KMT2A (0.82) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL5057224 0.77 KMT2A (0.54) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL29644794 0.76 ERN1 (0.63) KMT2AMEN1MAPTKDM4EALDH1A1

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 KMT2A 2789/4885MEN1 4345/4885MAPT 4846/4885

“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.