SCHEMBL3564211

SCHEMBL3564211

Oc1c(Cl)cc(-c2ccccc2)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.70
AKR1C2 P52895 3/20 0.68
AKR1C1 Q04828 3/20 0.68
ESR2 Q92731 1/20 0.61
CRHBP P24387 2/20 0.54
CRHR2 Q13324 2/20 0.54
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DUSP3 P51452 1/20 0.46
CYP1A2 P05177 1/20 0.46
MMP3 P08254 1/20 0.46
BCL2L1 Q07817 1/20 0.46
GSK3B P49841 1/20 0.45
ALOX5 P09917 1/20 0.44
FTO Q9C0B1 1/20 0.44
RHEB Q15382 1/20 0.44
BACE1 P56817 1/20 0.44

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
SCHEMBL28264819 0.87 AKR1C2 (0.59) TTRAKR1C2AKR1C1ESR2CRHBP
SCHEMBL463718 0.84 TTR (1.00) TTRAKR1C2AKR1C1ESR2CRHBP
SCHEMBL11780214 0.82 AKR1C2 (0.54) TTRAKR1C2AKR1C1ESR2CRHBP
SCHEMBL11228183 0.82 AKR1C2 (1.00) AKR1C2AKR1C1ALDH1A1HSD17B10FTO
SCHEMBL22004194 0.80 CA1 (0.55) TTRAKR1C2AKR1C1ESR2CRHBP
SCHEMBL3566720 0.80 TTR (0.70) TTRAKR1C2AKR1C1ESR2ALDH1A1
SCHEMBL4458296 0.79 AHR (0.64) AKR1C2AKR1C1ESR2CRHBPCRHR2
SCHEMBL11988997 0.79 RAB9A (0.55) TTRAKR1C2AKR1C1ESR2CRHBP
SCHEMBL16939188 0.77 ESR2 (0.52) TTRAKR1C2AKR1C1ESR2CRHBP
SCHEMBL16934967 0.77 ESR2 (0.52) TTRAKR1C2AKR1C1ESR2CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842825-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-11-30 US disclosed
US-7700632-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-04-20 US disclosed
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG AN 2008-10-16 US disclosed
US-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG A 2008-05-08 US disclosed
US-7355049-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2008-04-08 US disclosed
EP-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
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
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-0970059-A1 DISUBSTITUTED BIPHENYLOXAZOLINES BAYER AG (DE) 2000-01-12 EP disclosed
WO-1998039310-A1 DISUBSTITUTED BIPHENYLOXAZOLINES BAYER AKTIENGESELLSCHAFT (DE) 1998-09-11 WO disclosed
EP-0775692-A1 GUANIDINOMETHYL CYCLOHEXANE CARBOXYLIC ESTER DERIVATIVE TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 1997-05-28 EP disclosed
EP-0241918-B1 1-HYDROXY-2-PYRIDINONES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM, AS WELL AS INTERMEDIATES FORMED BY THE PREPARATION OF 1-HYDROXY-2-PYRIDINONES HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-27 EP disclosed
US-4797409-A FUNGICIDES, YEAST INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-10 US disclosed
EP-0241918-A2 1-Hydroxy-2-pyridinones, process for their preparation and medicines containing them, as well as intermediates formed by the preparation of 1-hydroxy-2-pyridinones HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-21 EP disclosed
US-4123452-A FOR YELLOW DYEING OF POLYESTERS, HEAT RESISTANCE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-31 US 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 (3 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-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR GYS2, PYGL, GYS1 TTR 1918/4885AKR1C2 81/4885AKR1C1 80/4885
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR GYS2, PYGL, GYS1 TTR 1918/4885AKR1C2 81/4885AKR1C1 80/4885
US-20050075402-A1 Guanidinomethyl cyclohexane carboxylic acid ester derivatives GCK, ADCY9, ADCY7 TTR 4592/4885AKR1C2 553/4885AKR1C1 740/4885

“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.