SCHEMBL6393643

SCHEMBL6393643

O=C(OCC1CCCCC1)c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
MIF P14174 1/20 0.51
ESR1 P03372 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
ESR2 Q92731 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
HPGD P15428 1/20 0.47
EGFR P00533 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL9764680 0.95 KMT2A (0.58) KMT2AMEN1LMNAMIFESR1
SCHEMBL19775431 0.94 KMT2A (0.57) KMT2AMEN1LMNAESR1CA12
SCHEMBL3468807 0.89 PARP15 (0.54) KMT2AMEN1LMNACHRNB2CHRNA4
SCHEMBL17737147 0.88 CHRNB2 (0.59) KDM4ECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1548934 0.87 KMT2A (0.56) KMT2AMEN1KDM4ELMNAESR1
SCHEMBL9217804 0.87 KMT2A (0.56) KMT2AMEN1KDM4ELMNAESR1
SCHEMBL17737173 0.87 MMP13 (0.48) KMT2AMEN1CHRNB2CHRNB4CHRNA3
SCHEMBL6393039 0.85 KMT2A (0.52) KMT2AMEN1KDM4ELMNAMIF
SCHEMBL17737180 0.85 MEN1 (0.54) KMT2AMEN1CHRNB2CHRNB4CHRNA3
SCHEMBL2296496 0.83 DRD2 (0.49) KMT2AMEN1LMNACHRNB2CHRNB4

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 4345/4885KDM4E 1046/4885

“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.