SCHEMBL6400277

SCHEMBL6400277

CC(C)(C)c1ccc(COC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ LMNA P02545 3/20 0.58
▸ ESRRG P62508 4/20 0.54
▸ ESRRB O95718 1/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ ESR1 P03372 2/20 0.50
▸ NR4A2 P43354 1/20 0.50
▸ RXRA P19793 1/20 0.50
▸ RXRB P28702 1/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50

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
SCHEMBL11002185 0.95 KMT2A (0.74) MEN1KMT2ALMNAESRRGESRRB
SCHEMBL10392942 0.91 KMT2A (0.65) MEN1KMT2ALMNAESRRGRAB9A
SCHEMBL6394047 0.85 KMT2A (0.68) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL8839073 0.85 RXRA (0.68) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL3885571 0.83 KMT2A (0.74) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL18320469 0.83 KMT2A (0.69) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL31715823 0.83 TDP1 (0.69) MEN1KMT2ALMNAESRRGRAB9A
SCHEMBL9509148 0.82 NR4A2 (0.74) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL29215569 0.82 SMN1; SMN2 (0.68) MEN1KMT2ALMNAESRRGESRRB
SCHEMBL29245494 0.82 KMT2A (1.00) MEN1KMT2ALMNARAB9ANPC1

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 MEN1 4345/4885KMT2A 2789/4885LMNA 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.

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